data_2cuh_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 2cuh _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' ' ' ASP . . . . . 0.436 ' CB ' HG21 ' A' ' 85' ' ' THR . 65.6 m-20 . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.949 0.404 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.89 -177.65 20.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.438 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 137.01 34.52 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.656 2.237 . . . . 0.0 112.344 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.7 p -140.58 173.43 11.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.174 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 55.21 40.14 31.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 28' ' ' TRP . 6.2 tp -58.71 125.21 22.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.977 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.404 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 47.5 ttt85 -122.93 154.86 37.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.921 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.404 ' N ' ' HG2' ' A' ' 15' ' ' ARG . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.426 ' HB1' ' CE1' ' A' ' 92' ' ' PHE . . . . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.813 0.34 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.425 ' CG1' ' HB3' ' A' ' 62' ' ' PRO . 1.8 m -134.6 164.87 32.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.177 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.1 mt -104.38 151.67 23.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -138.34 118.99 13.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.501 ' CE3' HG12 ' A' ' 76' ' ' VAL . 2.3 p90 -127.75 153.76 46.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -93.68 124.06 58.03 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.554 0.692 . . . . 0.0 110.891 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 125.8 12.63 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.682 2.255 . . . . 0.0 112.357 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 32' ' ' GLN . 54.3 Cg_endo -69.83 166.09 28.86 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 31' ' ' PRO . 5.7 tp-100 -37.28 -45.47 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.953 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.64 123.26 35.2 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.668 0.746 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 141.68 45.52 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.311 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.686 ' CG2' ' CE1' ' A' ' 38' ' ' TYR . 9.5 m -85.38 -176.0 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -97.05 -49.91 4.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.823 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.2 p -142.11 139.24 32.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.166 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.686 ' CE1' ' CG2' ' A' ' 35' ' ' VAL . 94.6 m-85 -101.33 126.46 48.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -94.99 113.81 25.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.426 HG21 ' N ' ' A' ' 41' ' ' GLN . 4.5 mp -112.2 136.53 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.426 ' N ' HG21 ' A' ' 40' ' ' ILE . 10.3 tt0 -130.45 113.93 14.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.8 t -104.77 126.61 59.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.1 p -146.98 160.67 42.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -159.97 162.56 24.25 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.622 0.725 . . . . 0.0 111.052 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 88.4 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.723 2.282 . . . . 0.0 112.4 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.32 -38.01 3.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.05 151.87 95.97 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.616 0.722 . . . . 0.0 111.15 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 147.96 64.0 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 143.17 49.85 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.692 2.261 . . . . 0.0 112.286 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.6 tp -129.8 130.11 44.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -127.3 136.19 51.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -156.22 177.02 11.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.091 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -150.09 156.25 41.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.426 ' HB ' ' CD1' ' A' ' 61' ' ' TYR . 0.2 OUTLIER -141.67 147.55 46.14 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.555 0.693 . . . . 0.0 111.132 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 146.47 60.29 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.68 2.253 . . . . 0.0 112.315 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.63 -16.59 5.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.494 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 92.4 p -81.9 17.21 1.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 110.879 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.25 140.93 51.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.002 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.8 m -121.75 25.53 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -169.39 138.37 1.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.426 ' CD1' ' HB ' ' A' ' 54' ' ' THR . 11.2 t80 -132.9 96.44 17.99 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.639 0.733 . . . . 0.0 110.965 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.425 ' HB3' ' CG1' ' A' ' 25' ' ' VAL . 53.2 Cg_endo -69.78 123.59 10.24 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.66 2.24 . . . . 0.0 112.387 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.3 mt -102.15 134.98 44.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.414 ' C ' HD11 ' A' ' 66' ' ' LEU . 1.1 p80 -121.52 179.52 4.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 63.72 31.95 14.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.565 HD22 ' CD2' ' A' ' 72' ' ' TYR . 5.5 mp -99.91 135.35 41.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.2 t -69.5 115.19 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.159 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -38.64 -70.89 0.09 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -75.33 70.14 2.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.4 m -169.94 126.96 0.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -82.47 109.73 16.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.565 ' CD2' HD22 ' A' ' 66' ' ' LEU . 67.2 m-85 -96.84 120.58 37.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 62.0 m -94.49 119.1 32.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -107.8 146.54 32.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.093 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.6 m -131.55 102.75 6.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.501 HG12 ' CE3' ' A' ' 28' ' ' TRP . 21.5 t -89.05 146.79 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.411 ' NH2' ' HB3' ' A' ' 84' ' ' LEU . 5.1 mtp180 -139.86 174.12 10.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.405 ' N ' ' OG1' ' A' ' 85' ' ' THR . . . -126.8 113.52 1.79 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.451 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.459 HD13 ' CD2' ' A' ' 84' ' ' LEU . 4.5 mm? -84.76 100.35 11.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.413 ' CG ' HG12 ' A' ' 35' ' ' VAL . 30.5 mmm-85 -118.25 94.66 4.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.14 -152.23 52.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.539 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 3.67 2.62 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.671 2.248 . . . . 0.0 112.382 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -120.84 175.89 5.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.459 ' CD2' HD13 ' A' ' 79' ' ' LEU . 6.1 mt -125.72 167.0 15.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.915 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.436 HG21 ' CB ' ' A' ' 9' ' ' ASP . 45.3 p -107.34 177.34 4.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.147 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 53.1 p -70.59 124.82 91.58 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.699 0.762 . . . . 0.0 110.812 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 151.8 68.75 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.746 2.297 . . . . 0.0 112.319 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -131.5 115.7 16.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.7 t -114.85 153.79 29.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.456 ' CG2' ' CD2' ' A' ' 14' ' ' LEU . 12.1 tt -158.58 150.09 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.5 m -101.85 126.87 48.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.538 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 29.0 p90 -145.99 124.29 12.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.1 m -74.07 145.33 44.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 . . . . . 0 CA--C 1.527 0.073 0 CA-C-O 120.831 0.348 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -116.16 179.73 17.9 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.45 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 129.25 17.26 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.713 2.275 . . . . 0.0 112.322 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.7 p -134.19 168.97 17.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 67.01 28.93 8.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 tp -59.54 137.35 58.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -153.47 164.25 38.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.1 179.892 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.554 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.798 0.332 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.412 ' CB ' ' HA ' ' A' ' 62' ' ' PRO . 1.5 m -135.14 165.07 31.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.079 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.2 mt -109.32 122.19 46.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -108.98 118.76 37.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.828 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.456 ' CD1' ' C ' ' A' ' 28' ' ' TRP . 1.7 p90 -129.57 154.17 47.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -97.12 129.37 32.4 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.648 0.737 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.62 122.43 9.15 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.367 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 32' ' ' GLN . 54.1 Cg_endo -69.67 160.65 48.91 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.696 2.264 . . . . 0.0 112.349 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 31' ' ' PRO . 51.1 tp60 -34.09 -54.87 0.5 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.544 ' ND2' ' CZ ' ' A' ' 80' ' ' ARG . 2.0 t30 -96.67 122.28 57.49 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.599 0.714 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 143.99 52.33 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.713 2.275 . . . . 0.0 112.261 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.562 HG23 ' CE1' ' A' ' 38' ' ' TYR . 28.9 m -92.11 -174.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -101.37 -53.72 2.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.0 137.65 31.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.232 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.562 ' CE1' HG23 ' A' ' 35' ' ' VAL . 79.8 m-85 -95.53 129.44 42.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.872 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -97.01 105.72 17.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.2 mp -107.46 142.16 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.67 125.73 27.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.8 t -113.06 126.9 70.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.166 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.1 p -147.1 165.32 30.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.185 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.554 ' HB3' ' CD1' ' A' ' 72' ' ' TYR . . . -171.09 157.43 4.93 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.593 0.711 . . . . 0.0 111.077 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 102.09 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.607 2.204 . . . . 0.0 112.346 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.1 31.49 7.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.46 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.22 151.26 51.21 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.597 0.713 . . . . 0.0 111.091 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 144.66 54.73 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.659 2.239 . . . . 0.0 112.337 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.75 148.33 64.9 Favored 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 122.673 2.249 . . . . 0.0 112.427 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 51' ' ' GLN . 5.3 tp -135.33 132.5 37.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.844 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.404 ' N ' HD12 ' A' ' 50' ' ' LEU . 15.6 tp60 -127.05 133.55 50.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.535 ' HB3' ' CE2' ' A' ' 61' ' ' TYR . . . -150.49 162.02 41.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -139.96 159.41 42.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -149.6 146.17 20.33 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.583 0.706 . . . . 0.0 111.154 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 148.33 65.27 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.712 2.274 . . . . 0.0 112.372 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.56 -13.81 3.16 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.534 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.1 t -77.66 8.56 4.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.836 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.73 143.8 49.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.124 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.0 m -123.79 23.63 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -170.55 131.84 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.535 ' CE2' ' HB3' ' A' ' 52' ' ' ALA . 15.5 t80 -128.43 96.39 30.71 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.662 0.744 . . . . 0.0 110.957 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.412 ' HA ' ' CB ' ' A' ' 25' ' ' VAL . 53.4 Cg_endo -69.81 128.15 15.57 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.697 2.265 . . . . 0.0 112.271 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 mt -102.33 136.16 42.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -122.19 173.54 7.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.812 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.4 t70 65.18 50.26 1.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.1 mt -114.18 141.04 48.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 81.7 t -81.82 130.51 35.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.46 177.49 3.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 45.56 35.42 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.2 m -141.84 146.46 35.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -92.22 105.32 17.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.554 ' CD1' ' HB3' ' A' ' 44' ' ' ALA . 13.1 m-85 -97.3 129.88 44.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.8 m -105.05 127.29 52.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.161 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.459 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -115.51 152.06 33.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.028 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.3 m -140.1 110.8 6.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 49.6 t -99.16 141.89 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.154 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 44.7 mtm-85 -139.58 159.25 42.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -111.41 120.3 5.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.503 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -88.18 101.02 13.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.844 0.354 . . . . 0.0 110.956 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.544 ' CZ ' ' ND2' ' A' ' 33' ' ' ASN . 31.7 mtp180 -118.63 97.0 5.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 59.31 -150.71 36.87 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.411 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.64 3.64 2.6 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.735 2.29 . . . . 0.0 112.353 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -118.94 174.99 5.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.8 mt -128.64 165.27 21.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.949 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 36.2 p -104.75 177.94 4.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 91.3 p -70.75 127.42 91.87 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.667 0.746 . . . . 0.0 110.851 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 145.6 57.62 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.336 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -135.06 115.47 13.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 74' ' ' ALA . 7.5 t -119.61 168.89 10.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.4 HG12 ' N ' ' A' ' 91' ' ' THR . 13.7 tt -157.41 155.92 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.141 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.4 ' N ' HG12 ' A' ' 90' ' ' ILE . 3.7 m -110.44 110.04 20.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.554 ' CE2' ' HB2' ' A' ' 24' ' ' ALA . 39.4 p90 -131.66 129.62 41.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.3 m -88.0 142.01 28.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.081 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.9 p . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.0 t0 . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.846 0.355 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.415 ' N ' ' HB ' ' A' ' 85' ' ' THR . . . -107.08 -179.31 22.6 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.462 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 135.3 30.08 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.0 p -135.73 -179.99 5.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.179 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 48.6 41.47 17.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.432 ' CD1' ' HB3' ' A' ' 28' ' ' TRP . 7.4 tp -58.93 132.16 53.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.416 ' HB3' ' NH1' ' A' ' 15' ' ' ARG . 1.1 ptp180 -121.33 166.72 13.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.959 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.802 0.334 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 m -134.47 156.71 40.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.128 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.1 mt -105.55 142.49 35.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -123.79 119.72 30.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.432 ' HB3' ' CD1' ' A' ' 14' ' ' LEU . 1.9 p90 -129.25 153.95 47.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -91.2 120.53 68.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.535 0.684 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.84 119.92 6.78 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.62 2.213 . . . . 0.0 112.384 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 32' ' ' GLN . 54.6 Cg_endo -69.69 154.89 67.47 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.687 2.258 . . . . 0.0 112.325 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 31' ' ' PRO . 55.3 tt0 -35.04 -40.92 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.51 ' ND2' HH11 ' A' ' 80' ' ' ARG . 1.0 OUTLIER -106.74 103.68 47.96 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.57 0.7 . . . . 0.0 110.882 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 33' ' ' ASN . 54.7 Cg_endo -69.71 121.19 7.89 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.732 2.288 . . . . 0.0 112.366 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.514 HG21 ' CE1' ' A' ' 38' ' ' TYR . 23.5 m -61.42 -175.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.128 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -96.11 -48.09 5.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.412 ' HB ' ' CD ' ' A' ' 53' ' ' GLU . 4.0 p -141.2 136.74 32.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.514 ' CE1' HG21 ' A' ' 35' ' ' VAL . 64.3 m-85 -97.68 126.85 43.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -98.37 106.21 18.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.407 HD12 ' N ' ' A' ' 40' ' ' ILE . 5.3 mp -106.6 139.37 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.115 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -131.08 120.51 23.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.2 t -108.84 133.24 54.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 76.1 p -145.11 166.94 23.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.173 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -161.01 162.67 22.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.534 0.683 . . . . 0.0 111.184 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 86.66 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.717 2.278 . . . . 0.0 112.27 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 112.85 -33.62 5.52 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.537 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.62 152.38 93.65 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.599 0.714 . . . . 0.0 111.106 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 150.18 67.88 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.618 2.212 . . . . 0.0 112.312 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 145.99 58.6 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.347 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.3 tp -128.65 132.12 48.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -123.78 123.36 40.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.519 ' HB1' ' CZ ' ' A' ' 61' ' ' TYR . . . -135.87 168.87 18.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.421 ' OE2' ' N ' ' A' ' 54' ' ' THR . 1.2 tm-20 -150.06 153.37 36.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.421 ' N ' ' OE2' ' A' ' 53' ' ' GLU . 0.7 OUTLIER -150.41 146.22 19.58 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.635 0.731 . . . . 0.0 111.097 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 147.77 63.42 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.643 2.229 . . . . 0.0 112.302 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -52.44 -15.93 3.2 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.449 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.4 p -72.79 0.9 9.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.915 0.388 . . . . 0.0 110.837 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -115.37 146.12 41.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.065 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.8 m -121.82 20.21 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.065 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -170.15 142.05 2.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.519 ' CZ ' ' HB1' ' A' ' 52' ' ' ALA . 29.3 t80 -133.57 99.49 14.24 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.63 0.729 . . . . 0.0 110.949 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.444 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 53.8 Cg_endo -69.73 107.93 1.96 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.0 mt -81.66 131.43 35.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.444 ' CD2' ' O ' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -116.25 170.65 8.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.869 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.9 t70 68.05 52.81 0.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.803 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 75.6 mt -116.62 128.41 55.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 72.7 t -65.41 130.76 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.64 174.69 5.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 13.0 m170 44.52 32.92 0.81 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 78.6 m -145.39 142.81 29.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.078 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -85.46 127.3 34.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -114.59 125.79 54.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.9 m -96.71 126.35 41.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.162 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -115.54 145.99 42.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.9 m -133.7 106.02 7.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 77' ' ' ARG . 15.8 t -93.26 144.8 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.159 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.427 ' N ' HG13 ' A' ' 76' ' ' VAL . 33.3 mtm-85 -140.27 172.5 12.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -125.26 129.79 7.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -98.08 101.73 13.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.361 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.51 HH11 ' ND2' ' A' ' 33' ' ' ASN . 23.4 mtp180 -121.43 95.1 4.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 63.33 -152.11 47.63 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 3.45 2.81 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.27 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -121.27 173.92 7.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.8 mt -128.57 161.57 29.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.415 ' HB ' ' N ' ' A' ' 10' ' ' GLY . 27.8 p -99.6 177.83 5.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.202 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 73.9 m -70.09 129.83 90.34 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.612 0.72 . . . . 0.0 110.802 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 159.58 52.87 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.692 2.261 . . . . 0.0 112.327 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -147.12 115.44 6.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.136 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 74' ' ' ALA . 4.1 t -122.47 166.22 15.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 20.6 tt -158.36 159.89 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.5 m -107.0 123.06 47.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.112 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 92' ' ' PHE . 8.7 p90 -142.6 149.13 38.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.3 m -97.78 147.04 24.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.177 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.2 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.895 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.412 ' C ' HG23 ' A' ' 85' ' ' THR . 1.8 m-20 . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.829 0.347 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.9 -179.62 17.27 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.541 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 138.3 37.62 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.256 . . . . 0.0 112.334 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.8 p -141.98 177.46 8.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 52.6 45.22 29.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.448 ' CD1' ' HB3' ' A' ' 28' ' ' TRP . 5.3 tp -67.24 131.03 44.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -128.25 157.14 41.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.916 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.844 0.354 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -130.03 157.16 42.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.5 mt -92.08 154.37 18.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -136.04 118.91 16.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.448 ' HB3' ' CD1' ' A' ' 14' ' ' LEU . 1.9 p90 -129.26 153.89 47.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -92.97 123.96 59.71 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.533 0.682 . . . . 0.0 110.971 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 127.98 15.39 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.87 173.84 10.49 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.712 2.275 . . . . 0.0 112.302 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -50.42 -42.25 53.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -108.69 127.58 27.14 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.632 0.73 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 131.09 20.49 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.758 2.305 . . . . 0.0 112.358 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.565 ' CG2' ' CE1' ' A' ' 38' ' ' TYR . 8.2 m -78.88 -178.07 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -91.17 -60.07 1.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.2 p -140.5 143.14 35.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.565 ' CE1' ' CG2' ' A' ' 35' ' ' VAL . 79.6 m-85 -99.16 127.28 45.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -95.49 105.14 17.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.41 ' CD1' ' CB ' ' A' ' 61' ' ' TYR . 17.2 mt -106.82 122.41 60.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.05 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.456 ' NE2' ' HB ' ' A' ' 75' ' ' THR . 0.2 OUTLIER -112.63 120.64 42.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -113.54 116.52 52.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.036 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.4 p -142.46 171.36 14.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.186 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -172.06 159.44 4.41 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.599 0.714 . . . . 0.0 111.11 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 102.95 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.63 -25.64 23.74 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.408 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -91.64 151.87 42.81 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.607 0.718 . . . . 0.0 111.062 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 146.76 60.68 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.701 2.268 . . . . 0.0 112.335 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 146.72 61.16 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.775 2.317 . . . . 0.0 112.31 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.9 tp -135.18 128.6 32.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -123.11 128.59 50.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.413 ' HB3' ' CE2' ' A' ' 61' ' ' TYR . . . -139.52 168.88 18.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -150.14 153.63 36.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.75 151.19 32.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.598 0.713 . . . . 0.0 111.194 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 148.09 64.61 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.638 2.225 . . . . 0.0 112.365 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.535 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -49.78 -33.01 18.79 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 91.0 p -52.29 -16.96 0.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.839 0.352 . . . . 0.0 110.841 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -92.79 154.66 18.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.064 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.3 m -125.16 9.78 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.048 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -171.06 155.42 4.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.413 ' CE2' ' HB3' ' A' ' 52' ' ' ALA . 29.0 t80 -139.86 114.37 7.83 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.692 0.758 . . . . 0.0 110.881 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 150.3 67.99 Favored 'Trans proline' 0 N--CA 1.465 -0.192 0 C-N-CA 122.714 2.276 . . . . 0.0 112.367 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.8 mt -131.52 133.28 44.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -129.17 175.54 8.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 t70 72.47 30.44 1.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.514 HD21 ' CD2' ' A' ' 72' ' ' TYR . 5.9 mp -100.8 141.35 33.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.0 t -75.4 120.41 25.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.404 ' N ' ' CD2' ' A' ' 68' ' ' LEU . 0.5 OUTLIER -40.99 -74.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -73.16 68.35 0.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.5 m -166.14 129.17 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -83.42 117.19 22.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.514 ' CD2' HD21 ' A' ' 66' ' ' LEU . 61.7 m-85 -105.81 122.59 46.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.4 m -94.8 122.2 37.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.068 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -105.29 148.37 27.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.456 ' HB ' ' NE2' ' A' ' 41' ' ' GLN . 2.7 m -132.79 103.19 5.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.417 HG13 ' CE3' ' A' ' 28' ' ' TRP . 10.6 t -93.64 137.09 23.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.6 mtt180 -138.48 169.37 17.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.815 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -122.05 117.4 3.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.414 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -85.33 103.77 14.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.361 . . . . 0.0 110.828 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -122.07 97.27 5.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 59.97 -152.07 36.85 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.465 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 3.77 2.58 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.728 2.285 . . . . 0.0 112.304 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -118.32 175.94 5.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.3 mt -128.91 162.47 27.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.412 HG23 ' C ' ' A' ' 9' ' ' ASP . 31.4 p -103.37 173.88 6.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 91.9 p -67.46 121.06 77.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.56 0.695 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 150.89 69.23 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.713 2.276 . . . . 0.0 112.399 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.27 115.78 14.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.08 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 27.2 t -115.25 156.53 25.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.443 ' CG2' HD22 ' A' ' 14' ' ' LEU . 21.5 tt -152.01 153.44 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.8 m -107.85 112.34 24.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -131.23 129.45 41.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.5 m -85.06 143.91 28.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.107 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.4 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.438 ' OD2' ' NH1' ' A' ' 80' ' ' ARG . 31.5 t70 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.792 0.33 . . . . 0.0 110.807 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -131.26 -165.36 11.43 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.513 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 128.57 16.23 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.754 2.303 . . . . 0.0 112.335 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.8 p -135.33 171.61 14.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 62.9 33.19 15.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 28' ' ' TRP . 7.5 tp -58.79 115.53 3.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.5 ttt85 -127.73 159.91 33.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.881 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.567 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.807 0.337 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.41 ' CG1' ' HA ' ' A' ' 62' ' ' PRO . 1.3 m -135.33 164.11 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.414 HD12 ' CG2' ' A' ' 76' ' ' VAL . 41.1 mt -103.38 129.08 50.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -113.77 118.73 35.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.613 ' CZ2' ' CD2' ' A' ' 38' ' ' TYR . 1.6 p90 -129.46 154.22 47.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.5 mttm -95.44 126.77 44.53 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.637 0.732 . . . . 0.0 110.838 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.74 124.23 10.89 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.693 2.262 . . . . 0.0 112.304 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.457 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.6 Cg_endo -69.81 167.15 25.33 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.64 2.227 . . . . 0.0 112.304 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 31' ' ' PRO . 37.2 tp60 -34.09 -45.61 0.21 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.54 122.55 30.74 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.644 0.735 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 115.29 4.02 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.671 2.247 . . . . 0.0 112.289 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.548 ' CG2' ' CE1' ' A' ' 38' ' ' TYR . 18.8 m -56.49 178.05 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.73 -56.83 3.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 p -141.23 151.99 44.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.083 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.613 ' CD2' ' CZ2' ' A' ' 28' ' ' TRP . 66.6 m-85 -107.38 131.5 54.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -96.95 108.85 21.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mp -105.88 132.89 51.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.184 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -129.91 117.41 20.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.9 t -110.02 132.32 58.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 46.0 p -145.36 171.91 13.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.533 ' HB3' ' CE1' ' A' ' 72' ' ' TYR . . . -169.35 156.3 6.5 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.564 0.697 . . . . 0.0 111.086 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 84.4 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.713 2.275 . . . . 0.0 112.342 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 119.12 -26.33 7.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.525 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.12 152.51 65.28 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.538 0.685 . . . . 0.0 111.115 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 148.23 64.16 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.666 2.244 . . . . 0.0 112.266 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 146.04 58.84 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.6 tp -132.81 131.18 40.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -125.86 142.36 51.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -161.35 167.68 25.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -144.32 154.48 43.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.48 146.76 25.86 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.548 0.69 . . . . 0.0 111.196 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 147.41 62.08 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.64 2.226 . . . . 0.0 112.315 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 58' ' ' ALA . . . -47.19 -42.26 16.79 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.446 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.4 m -42.54 -24.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 0.0 110.779 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 56' ' ' GLY . . . -90.32 148.22 23.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.4 m -125.09 17.91 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.151 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -169.49 148.14 3.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -134.64 103.18 11.2 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.712 0.768 . . . . 0.0 110.893 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.41 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 53.1 Cg_endo -69.79 117.43 5.08 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.339 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.9 mt -93.63 127.67 39.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -118.16 170.96 8.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.846 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.4 t70 66.36 48.52 1.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.8 mt -115.97 146.27 42.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 88.8 t -77.71 119.69 26.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.1 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.467 ' N ' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -63.22 161.03 14.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.968 179.901 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 9.5 m170 54.96 40.63 32.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 74.7 m -140.94 143.52 34.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 62.0 t-20 -86.25 108.45 18.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.95 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.533 ' CE1' ' HB3' ' A' ' 44' ' ' ALA . 33.4 m-85 -107.83 132.89 52.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.041 0.448 . . . . 0.0 110.898 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 33.0 m -106.67 120.59 42.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -112.0 150.66 30.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.126 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.7 m -134.91 119.71 18.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.18 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.43 HG12 ' CZ3' ' A' ' 28' ' ' TRP . 39.8 t -109.69 135.51 48.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.9 mtt180 -130.4 159.96 35.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -108.24 126.19 8.15 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.413 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.43 HD13 ' CD2' ' A' ' 84' ' ' LEU . 4.3 mm? -92.82 99.91 12.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.462 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 43.7 mmm-85 -116.63 95.0 4.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.32 -151.35 50.29 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.524 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 3.62 2.65 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.7 2.267 . . . . 0.0 112.302 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -122.39 176.07 6.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.43 ' CD2' HD13 ' A' ' 79' ' ' LEU . 6.1 mt -128.07 164.03 23.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 42.9 p -102.08 178.04 4.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.5 p -67.01 130.33 93.9 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.642 0.734 . . . . 0.0 110.939 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 146.44 60.46 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.634 2.223 . . . . 0.0 112.368 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.25 115.53 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.7 t -117.94 158.83 24.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.78 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.456 ' CG2' HD22 ' A' ' 14' ' ' LEU . 14.6 tt -145.45 157.11 13.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.139 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.438 ' N ' HG12 ' A' ' 90' ' ' ILE . 9.2 m -112.08 110.4 20.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.108 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CE2' ' HB1' ' A' ' 24' ' ' ALA . 4.0 p90 -126.48 143.65 51.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.4 m -101.5 123.51 45.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.187 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 69.9 p . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.179 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.83 0.348 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -109.77 -156.65 16.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.455 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 127.25 14.34 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.619 2.213 . . . . 0.0 112.387 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -133.82 162.1 32.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 67.81 35.06 4.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.416 ' CD1' ' HB3' ' A' ' 28' ' ' TRP . 6.3 tp -59.16 123.37 16.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.2 ttm-85 -131.21 159.53 37.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.901 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.792 0.329 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -133.87 163.65 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.41 HD22 ' CB ' ' A' ' 74' ' ' ALA . 13.0 mt -105.42 147.44 28.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -127.71 118.78 24.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.421 ' CD1' ' C ' ' A' ' 28' ' ' TRP . 1.7 p90 -129.28 152.83 48.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -94.37 123.03 59.86 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.57 0.7 . . . . 0.0 110.903 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 121.44 8.11 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.635 2.223 . . . . 0.0 112.311 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.0 Cg_endo -69.8 162.27 42.73 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 31' ' ' PRO . 35.2 tt0 -34.61 -54.86 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -96.24 120.58 62.33 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.667 0.746 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 114.09 3.59 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.676 2.251 . . . . 0.0 112.311 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.503 ' CG2' ' CE1' ' A' ' 38' ' ' TYR . 16.2 m -57.45 179.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -90.78 -55.3 3.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.887 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.87 154.81 46.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.104 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.503 ' CE1' ' CG2' ' A' ' 35' ' ' VAL . 65.5 m-85 -111.5 126.96 55.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -95.12 103.56 15.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mp -102.75 136.79 33.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.086 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -137.8 120.71 16.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.0 t -106.7 132.88 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.141 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 65.5 p -147.13 165.4 30.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.523 ' HB1' ' CE1' ' A' ' 72' ' ' TYR . . . -168.71 156.99 7.58 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.562 0.696 . . . . 0.0 111.15 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 101.45 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.697 2.265 . . . . 0.0 112.358 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.6 19.32 35.23 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.418 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -127.22 153.58 76.89 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.568 0.699 . . . . 0.0 111.116 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.87 142.75 48.27 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.599 2.199 . . . . 0.0 112.289 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 146.34 59.56 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.7 tp -135.14 129.29 33.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.6 tm0? -126.69 148.95 49.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.94 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.508 ' HB1' ' CZ ' ' A' ' 61' ' ' TYR . . . -168.42 157.61 9.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -132.48 154.25 50.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.43 146.3 24.51 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.675 0.75 . . . . 0.0 111.123 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 143.91 52.33 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.671 2.247 . . . . 0.0 112.301 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.498 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -44.09 -44.35 7.45 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.452 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.3 m -37.88 -33.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.907 0.384 . . . . 0.0 110.86 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.67 146.43 29.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.0 m -119.72 16.99 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -170.18 147.62 3.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.508 ' CZ ' ' HB1' ' A' ' 52' ' ' ALA . 38.3 t80 -133.68 99.94 13.83 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.685 0.755 . . . . 0.0 110.909 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 127.52 14.76 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.703 2.268 . . . . 0.0 112.363 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.6 mt -107.33 136.07 47.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.966 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -117.54 179.47 4.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.5 t0 58.43 49.5 10.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.1 mt -113.27 120.52 41.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.017 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.2 t -56.41 135.44 19.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.154 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.69 163.18 24.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 54.21 40.7 31.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.826 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.2 m -146.3 138.73 25.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.54 121.1 23.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.523 ' CE1' ' HB1' ' A' ' 44' ' ' ALA . 10.7 m-85 -118.3 126.17 51.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.4 m -100.46 119.03 37.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.186 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.41 ' CB ' HD22 ' A' ' 26' ' ' LEU . . . -106.18 139.76 40.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.045 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 33.2 m -125.9 115.79 20.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 46.2 t -108.78 122.27 63.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.406 ' NE ' ' HB3' ' A' ' 87' ' ' PRO . 14.3 mtt85 -118.91 158.05 26.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -115.58 127.61 7.67 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.573 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.477 ' CD2' ' N ' ' A' ' 79' ' ' LEU . 0.6 OUTLIER -91.38 107.75 19.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.823 0.344 . . . . 0.0 110.874 -179.834 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.46 ' CG ' HG13 ' A' ' 35' ' ' VAL . 30.5 mmm-85 -121.98 96.12 4.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 58.15 -150.86 32.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.512 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 3.68 2.63 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.685 2.257 . . . . 0.0 112.397 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -120.07 169.2 10.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 12.8 mt -128.45 155.49 44.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.4 p -97.99 174.01 6.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.9 m -66.87 132.68 93.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 0.0 110.89 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.406 ' HB3' ' NE ' ' A' ' 77' ' ' ARG . 53.7 Cg_endo -69.74 136.97 34.42 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.732 2.288 . . . . 0.0 112.359 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -102.84 114.53 28.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.081 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.4 p -116.57 153.31 32.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.792 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.436 HG12 ' N ' ' A' ' 91' ' ' THR . 15.8 tt -162.13 160.67 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.111 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.436 ' N ' HG12 ' A' ' 90' ' ' ILE . 6.5 m -119.26 113.44 20.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -132.07 135.61 46.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.1 m -83.68 133.54 34.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.092 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 80' ' ' ARG . 28.2 m-20 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.61 -162.79 26.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.452 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 132.64 23.8 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.706 2.271 . . . . 0.0 112.35 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.6 p -131.78 177.82 7.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.108 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 52.8 33.14 13.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.422 ' CD1' ' HB3' ' A' ' 28' ' ' TRP . 5.0 tp -60.86 121.75 13.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.467 ' HB2' ' CZ ' ' A' ' 15' ' ' ARG . 19.5 ttm105 -133.43 166.57 22.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.401 ' N ' ' HG2' ' A' ' 15' ' ' ARG . . . . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.402 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.839 0.352 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -121.03 156.84 24.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.0 mt -95.06 143.99 26.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -128.23 118.86 24.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.516 ' CZ2' ' CD2' ' A' ' 38' ' ' TYR . 1.8 p90 -129.22 153.36 47.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.951 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -94.19 127.61 44.05 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.568 0.699 . . . . 0.0 110.959 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 115.54 4.15 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.23 . . . . 0.0 112.292 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.9 Cg_endo -69.79 149.32 66.51 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.624 2.216 . . . . 0.0 112.343 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 31' ' ' PRO . 19.0 tt0 -34.24 -46.57 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.92 109.93 28.59 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.671 0.748 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.64 122.68 9.39 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.725 2.283 . . . . 0.0 112.344 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.555 HG23 ' CE1' ' A' ' 38' ' ' TYR . 30.3 m -80.46 -176.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -97.7 -56.84 2.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.0 p -141.87 144.93 34.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.555 ' CE1' HG23 ' A' ' 35' ' ' VAL . 70.2 m-85 -101.37 129.82 47.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.96 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -95.58 115.03 26.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.8 mt -116.02 123.17 70.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -124.36 110.4 14.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.946 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.414 HG21 ' CD1' ' A' ' 63' ' ' LEU . 30.3 t -92.77 126.47 45.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.177 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.3 p -141.1 166.38 24.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.197 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.491 ' HB3' ' CE1' ' A' ' 72' ' ' TYR . . . -164.51 151.78 10.1 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.543 0.687 . . . . 0.0 111.094 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.61 81.26 0.79 Allowed 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.705 2.27 . . . . 0.0 112.402 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 123.52 7.34 6.92 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.496 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -127.2 152.06 75.41 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.529 0.681 . . . . 0.0 111.109 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 149.28 67.02 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.704 2.269 . . . . 0.0 112.304 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 150.47 68.25 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.731 2.287 . . . . 0.0 112.386 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.7 tp -132.97 129.0 37.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -95.31 151.75 18.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -167.49 133.97 2.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.172 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -139.54 151.56 46.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -153.7 148.38 19.55 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.56 0.695 . . . . 0.0 111.15 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 147.65 63.47 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.728 2.285 . . . . 0.0 112.295 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.541 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -43.32 -43.7 6.02 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.524 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.5 t -39.53 -34.68 0.24 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.847 0.356 . . . . 0.0 110.822 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.98 153.22 26.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.058 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.1 m -125.14 12.98 4.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -170.7 154.99 4.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -138.45 104.94 7.73 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.611 0.72 . . . . 0.0 110.992 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 115.69 4.2 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.646 2.231 . . . . 0.0 112.428 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.414 ' CD1' HG21 ' A' ' 42' ' ' VAL . 8.4 mt -96.7 130.36 43.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.936 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -115.61 177.99 4.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 59.08 46.91 12.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 97.6 mt -110.71 128.71 55.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.1 t -59.04 132.18 23.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.068 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.484 ' N ' ' CD2' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -71.89 175.84 5.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 68' ' ' LEU . 38.3 m-70 36.49 51.84 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.3 m -153.23 125.99 8.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.25 104.73 6.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.491 ' CE1' ' HB3' ' A' ' 44' ' ' ALA . 13.3 m-85 -97.59 125.84 42.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.3 m -94.48 119.77 33.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.168 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -109.76 148.31 31.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.07 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.9 m -131.65 111.8 12.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.217 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 42.2 t -101.98 121.91 53.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -114.29 178.61 4.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -128.73 123.65 4.36 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.516 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -92.72 98.86 11.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.435 ' CZ ' ' HB3' ' A' ' 9' ' ' ASP . 28.1 mtm180 -121.23 96.12 4.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 63.45 -152.23 47.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 3.5 2.76 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.748 2.299 . . . . 0.0 112.305 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -122.9 174.51 7.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.7 mt -128.66 156.55 43.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.2 p -92.26 177.27 6.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.176 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 61.4 m -69.02 129.33 92.27 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.627 0.727 . . . . 0.0 110.836 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 147.0 62.29 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.639 2.226 . . . . 0.0 112.385 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.94 115.53 13.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.1 t -116.62 167.94 10.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.447 HG12 ' N ' ' A' ' 91' ' ' THR . 15.6 tt -159.01 158.36 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.193 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.447 ' N ' HG12 ' A' ' 90' ' ' ILE . 2.7 m -111.89 110.89 21.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.402 ' CE2' ' HB1' ' A' ' 24' ' ' ALA . 31.1 p90 -130.19 138.67 50.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 43.6 m -89.75 132.54 35.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.217 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.124 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.405 ' HB3' ' NH1' ' A' ' 80' ' ' ARG . 3.7 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.823 0.344 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -119.5 -174.27 15.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.472 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 137.13 34.69 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.698 2.265 . . . . 0.0 112.371 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 39.5 p -140.67 176.27 8.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.121 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 49.96 39.65 19.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 28' ' ' TRP . 8.1 tp -58.91 127.32 31.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -123.39 178.07 5.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 179.895 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.877 0.37 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.403 ' CG1' ' HB3' ' A' ' 62' ' ' PRO . 1.9 m -131.1 165.03 32.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.7 mt -109.94 146.93 34.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -129.03 120.76 26.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.468 ' HB3' ' CD1' ' A' ' 14' ' ' LEU . 2.0 p90 -129.31 153.28 47.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -91.71 125.98 55.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 125.87 12.61 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.659 2.239 . . . . 0.0 112.398 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.9 Cg_endo -69.81 163.68 37.4 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.629 2.219 . . . . 0.0 112.365 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 31' ' ' PRO . 43.9 tt0 -34.5 -50.71 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.811 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -110.62 128.15 25.8 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.69 0.757 . . . . 0.0 110.837 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 151.34 69.02 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.712 2.275 . . . . 0.0 112.314 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.533 HG21 ' CE1' ' A' ' 38' ' ' TYR . 19.1 m -96.62 -177.78 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.96 -51.5 5.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.4 p -142.07 136.9 30.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.152 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.533 ' CE1' HG21 ' A' ' 35' ' ' VAL . 94.1 m-85 -96.71 127.23 42.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -95.73 114.54 26.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.44 HG23 ' N ' ' A' ' 41' ' ' GLN . 5.2 mp -117.2 136.71 53.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.232 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.44 ' N ' HG23 ' A' ' 40' ' ' ILE . 26.9 tt0 -132.36 127.86 36.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.438 ' CG2' HD13 ' A' ' 63' ' ' LEU . 90.4 t -117.78 139.07 46.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.096 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.8 p -144.55 166.48 25.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.507 ' HB1' ' CE2' ' A' ' 72' ' ' TYR . . . -166.84 153.68 8.3 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.634 0.731 . . . . 0.0 111.025 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 110.36 2.55 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.664 2.242 . . . . 0.0 112.362 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.52 9.67 62.76 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.516 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -125.69 151.91 71.4 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.534 0.683 . . . . 0.0 111.109 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.71 148.12 64.72 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.377 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 136.75 33.61 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.65 2.233 . . . . 0.0 112.349 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 tp -116.5 128.56 55.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -128.98 129.14 45.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.524 ' HB1' ' CE2' ' A' ' 61' ' ' TYR . . . -145.09 172.64 12.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -142.45 157.22 45.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.416 ' CG2' ' HB2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -144.77 150.44 46.6 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.61 0.719 . . . . 0.0 111.134 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 152.97 69.63 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.63 2.22 . . . . 0.0 112.38 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.7 -16.69 46.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.2 p -81.41 15.28 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 110.86 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.66 143.07 49.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.117 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.5 m -118.89 18.61 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -169.8 147.62 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.524 ' CE2' ' HB1' ' A' ' 52' ' ' ALA . 15.9 t80 -133.83 96.5 16.32 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.7 0.762 . . . . 0.0 110.92 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.403 ' HB3' ' CG1' ' A' ' 25' ' ' VAL . 54.1 Cg_endo -69.71 112.3 3.03 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.657 2.238 . . . . 0.0 112.307 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.438 HD13 ' CG2' ' A' ' 42' ' ' VAL . 4.3 mt -96.31 133.22 40.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -118.11 173.02 7.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.805 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.9 t0 68.08 48.6 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 90.8 mt -111.38 121.02 44.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.4 t -53.53 131.63 15.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.442 HD11 ' N ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -78.03 155.19 30.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.959 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 63.3 43.76 5.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.477 HG22 ' CE1' ' A' ' 72' ' ' TYR . 20.6 m -154.53 133.17 12.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -74.12 118.5 17.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.507 ' CE2' ' HB1' ' A' ' 44' ' ' ALA . 9.3 m-85 -114.11 116.89 29.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 57.7 m -91.19 119.96 31.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.413 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -108.22 138.03 45.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.9 m -123.2 111.94 17.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.214 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.447 HG13 ' CZ3' ' A' ' 28' ' ' TRP . 21.4 t -99.89 142.75 14.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.149 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.411 ' N ' HG12 ' A' ' 76' ' ' VAL . 36.0 mtt180 -139.65 179.39 6.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.956 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -134.21 129.43 5.24 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.446 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -93.03 104.72 16.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.749 0.309 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.405 ' NH1' ' HB3' ' A' ' 9' ' ' ASP . 22.0 mmm-85 -121.72 94.98 4.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.65 -152.82 50.03 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 3.49 2.74 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.742 2.294 . . . . 0.0 112.282 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -121.55 176.02 5.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.2 mt -122.29 165.99 15.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 70.4 p -103.66 177.06 4.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 31.2 p -69.76 127.38 92.6 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.719 0.771 . . . . 0.0 110.765 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 154.85 67.33 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.635 2.223 . . . . 0.0 112.341 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -147.32 115.59 6.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 74' ' ' ALA . 12.3 t -122.91 165.96 15.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.431 HG23 ' CD2' ' A' ' 14' ' ' LEU . 20.2 tt -155.34 157.49 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.116 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 7.4 m -106.19 120.95 43.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.097 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.468 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 22.2 p90 -143.47 133.3 23.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 35.0 m -83.17 142.2 31.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.9 p . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.826 0.346 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -124.36 -171.53 13.43 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 128.86 16.62 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.63 2.22 . . . . 0.0 112.269 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.2 p -132.34 173.87 10.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.191 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 55.67 40.64 30.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.2 tp -62.39 127.88 33.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -122.43 162.71 21.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.051 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.48 ' HB3' ' CE1' ' A' ' 92' ' ' PHE . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.821 0.343 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -124.77 146.14 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.1 mt -91.32 111.8 23.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.021 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -102.62 118.9 37.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.42 ' CD1' ' C ' ' A' ' 28' ' ' TRP . 1.9 p90 -129.42 153.99 47.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.1 tttt -88.05 122.51 69.93 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.6 0.714 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 118.82 5.91 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.623 2.215 . . . . 0.0 112.347 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 162.54 41.7 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.637 2.225 . . . . 0.0 112.368 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -47.61 -46.59 28.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.804 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -86.01 114.8 59.04 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.629 0.728 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 117.63 5.21 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.646 2.231 . . . . 0.0 112.359 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.594 ' CG2' ' CZ ' ' A' ' 38' ' ' TYR . 9.9 m -71.68 -176.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.045 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 56' ' ' GLY . 1.0 OUTLIER -103.45 -55.49 2.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.903 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 p -139.75 134.82 32.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.594 ' CZ ' ' CG2' ' A' ' 35' ' ' VAL . 82.1 m-85 -93.59 126.84 38.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -94.89 124.14 38.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.1 mp -123.75 139.17 51.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -133.29 114.14 13.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.465 ' HB ' ' CB ' ' A' ' 50' ' ' LEU . 1.2 t -113.92 107.18 22.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.114 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.9 p -128.62 155.58 44.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -151.19 162.69 26.06 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.513 0.673 . . . . 0.0 111.131 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 95.02 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.613 2.208 . . . . 0.0 112.391 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 114.17 -36.2 4.11 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.452 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.44 157.04 80.79 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.638 0.732 . . . . 0.0 111.071 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.67 158.68 56.24 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.722 2.281 . . . . 0.0 112.346 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 134.43 27.88 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.676 2.251 . . . . 0.0 112.335 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.504 ' CD1' ' C ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -102.71 117.89 35.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.426 ' N ' HD13 ' A' ' 50' ' ' LEU . 10.4 tt0 -126.04 119.68 28.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -157.49 160.23 38.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.068 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -136.83 162.4 33.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.97 151.44 41.59 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.578 0.704 . . . . 0.0 111.126 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.6 155.44 66.44 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.724 2.282 . . . . 0.0 112.378 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 36' ' ' ASP . . . -61.37 -17.33 52.69 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.513 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.2 t -84.44 28.94 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.938 0.399 . . . . 0.0 110.872 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.44 132.78 41.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.174 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.7 m -116.11 22.74 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -171.17 131.24 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -127.52 96.4 33.2 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.689 0.757 . . . . 0.0 110.925 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 113.26 3.31 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.716 2.277 . . . . 0.0 112.322 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.0 mt -93.03 119.59 32.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -106.52 167.96 9.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.1 t70 72.9 51.15 0.15 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.836 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 97.1 mt -114.37 122.53 46.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.4 t -55.95 130.01 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.168 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.544 ' N ' ' CD2' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -72.93 163.22 28.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 51.21 53.16 13.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.2 m -156.94 142.22 17.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.095 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -84.49 111.28 19.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -105.45 130.74 53.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.5 m -103.87 119.53 39.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.181 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -111.14 147.97 33.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 61.0 m -135.81 111.25 9.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 48.9 t -96.18 137.39 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.1 mtt180 -136.41 166.48 23.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -121.1 125.52 6.22 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -91.68 104.8 17.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.789 0.328 . . . . 0.0 110.843 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -122.07 94.54 4.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.53 -152.9 49.67 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.44 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 3.69 2.62 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.648 2.232 . . . . 0.0 112.38 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -119.56 175.88 5.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.4 mt -124.72 163.12 22.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 60.3 p -102.97 177.55 4.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.2 p -70.21 120.94 81.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.667 0.746 . . . . 0.0 110.871 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 155.15 66.44 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.663 2.242 . . . . 0.0 112.35 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -140.36 115.62 9.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.1 t -115.82 159.59 21.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.413 HG12 ' N ' ' A' ' 91' ' ' THR . 19.2 tt -157.04 160.58 2.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.413 ' N ' HG12 ' A' ' 90' ' ' ILE . 23.7 m -112.93 123.06 49.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.099 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.48 ' CE1' ' HB3' ' A' ' 24' ' ' ALA . 33.8 p90 -142.37 126.16 17.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.929 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 55.4 m -83.1 142.65 31.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.2 p . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.174 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.873 0.368 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.07 -166.01 17.57 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.483 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 130.61 19.71 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.743 2.295 . . . . 0.0 112.284 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.8 p -135.13 179.52 6.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.2 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 53.01 36.26 21.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.461 HD22 ' CG2' ' A' ' 90' ' ' ILE . 5.4 tp -58.11 124.84 20.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.869 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 16' ' ' ALA . 13.4 tpp180 -117.23 150.84 38.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.456 ' N ' ' HG3' ' A' ' 15' ' ' ARG . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 63' ' ' LEU . . . . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.869 0.366 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 m -135.06 164.37 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.5 mt -113.53 162.39 16.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -142.84 119.98 11.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.783 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.665 ' CZ2' ' CD2' ' A' ' 38' ' ' TYR . 2.1 p90 -129.08 153.94 47.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -92.15 122.19 65.35 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.574 0.702 . . . . 0.0 110.908 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 113.97 3.54 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.644 2.229 . . . . 0.0 112.373 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 32' ' ' GLN . 54.0 Cg_endo -69.77 152.65 69.29 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.682 2.255 . . . . 0.0 112.398 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 31' ' ' PRO . 2.9 tm0? -34.5 -39.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.56 100.91 11.76 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.609 0.719 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 111.37 2.79 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.514 ' CG2' ' CE1' ' A' ' 38' ' ' TYR . 27.6 m -60.64 -174.97 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.077 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -94.04 -56.4 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.3 p -140.36 141.18 35.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.665 ' CD2' ' CZ2' ' A' ' 28' ' ' TRP . 64.4 m-85 -96.25 129.72 43.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -97.08 106.42 18.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mp -105.15 136.09 40.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -129.37 113.62 15.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.425 ' CG2' HD11 ' A' ' 63' ' ' LEU . 53.1 t -99.65 123.11 52.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.7 p -140.4 170.18 16.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.547 ' HB3' ' CD1' ' A' ' 72' ' ' TYR . . . -174.67 151.32 1.49 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.584 0.707 . . . . 0.0 111.072 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 84.89 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.709 2.272 . . . . 0.0 112.356 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 121.01 24.07 2.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.531 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.64 153.18 54.46 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.538 0.685 . . . . 0.0 111.035 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 146.98 61.56 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.638 2.226 . . . . 0.0 112.364 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 144.97 55.5 Favored 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.657 2.238 . . . . 0.0 112.333 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 51' ' ' GLN . 4.7 tp -129.28 130.06 45.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.969 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.433 ' N ' HD12 ' A' ' 50' ' ' LEU . 4.2 tp60 -122.51 130.92 53.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -148.06 168.25 22.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -146.09 159.42 43.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 t -157.5 145.66 14.18 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.574 0.702 . . . . 0.0 111.164 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 147.63 63.18 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.754 2.303 . . . . 0.0 112.37 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -47.96 -39.28 18.27 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.432 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 51.6 m -43.95 -25.05 0.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.819 0.342 . . . . 0.0 110.853 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.33 137.37 32.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.087 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.7 m -114.53 22.28 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -170.17 144.55 2.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -131.5 96.51 21.11 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.693 0.759 . . . . 0.0 110.932 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 106.26 1.62 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.72 2.28 . . . . 0.0 112.306 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.425 HD11 ' CG2' ' A' ' 42' ' ' VAL . 5.1 mt -89.25 131.94 35.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -116.64 171.18 8.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.9 t70 68.97 51.77 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 73.2 mt -115.31 127.98 55.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.5 t -60.64 134.08 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.422 ' N ' HD12 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -81.33 152.71 27.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.5 m170 66.06 41.86 3.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 54.2 m -150.94 127.24 10.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -69.99 110.19 4.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.547 ' CD1' ' HB3' ' A' ' 44' ' ' ALA . 15.4 m-85 -104.92 130.78 53.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.4 m -102.24 119.69 39.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.206 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -109.21 138.66 45.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.062 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 38.5 m -127.48 119.69 26.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.3 t -106.46 136.28 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.125 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 38.1 mtm-85 -128.34 171.09 12.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -123.96 124.06 5.39 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.436 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -89.39 102.65 15.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.787 0.327 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.442 ' HG3' ' CG1' ' A' ' 35' ' ' VAL . 37.1 mtp180 -121.66 96.79 5.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 61.16 -151.92 41.49 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.462 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 3.58 2.69 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.699 2.266 . . . . 0.0 112.357 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -120.73 176.36 5.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.5 mt -128.78 157.94 40.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 45.6 p -93.89 177.71 5.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.14 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.4 m -71.24 127.73 91.09 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.731 0.777 . . . . 0.0 110.84 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 140.74 43.61 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.746 2.297 . . . . 0.0 112.322 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -128.74 115.76 18.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.3 t -119.43 160.16 22.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.461 ' CG2' HD22 ' A' ' 14' ' ' LEU . 21.2 tt -152.69 153.49 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.4 m -99.07 130.09 45.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.15 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.52 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 16.9 p90 -149.39 131.94 15.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.5 m -90.07 132.57 35.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 26.4 p . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.168 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 . . . . . 0 C--O 1.23 0.027 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -114.72 -167.09 15.54 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.535 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 121.59 8.28 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.64 2.227 . . . . 0.0 112.381 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.4 p -124.26 165.12 18.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 56.6 39.98 29.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.458 HD23 ' CG2' ' A' ' 90' ' ' ILE . 9.2 tp -59.89 121.91 12.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -116.06 162.56 17.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.058 179.943 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.752 0.31 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -134.99 164.68 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.0 mt -107.04 132.58 52.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -119.59 119.75 34.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.822 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.444 ' HB3' ' CD1' ' A' ' 14' ' ' LEU . 1.8 p90 -127.19 153.53 45.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -95.38 125.95 47.86 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.598 0.713 . . . . 0.0 110.855 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.88 119.4 6.34 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.703 2.269 . . . . 0.0 112.308 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 161.36 46.24 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.629 2.22 . . . . 0.0 112.337 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.6 tp60 -38.31 -55.65 1.32 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.537 ' ND2' ' CZ ' ' A' ' 80' ' ' ARG . 0.3 OUTLIER -88.39 116.86 67.49 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.616 0.722 . . . . 0.0 110.868 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 142.47 48.15 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.736 2.291 . . . . 0.0 112.332 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.562 HG22 ' CE1' ' A' ' 38' ' ' TYR . 26.4 m -94.3 -174.91 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.228 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -104.24 -53.15 2.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.7 p -142.42 134.41 27.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.133 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.562 ' CE1' HG22 ' A' ' 35' ' ' VAL . 85.5 m-85 -94.29 129.72 40.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -94.85 111.98 23.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.79 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.464 HG21 ' N ' ' A' ' 41' ' ' GLN . 5.3 mp -111.75 139.96 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.464 ' N ' HG21 ' A' ' 40' ' ' ILE . 8.5 tt0 -137.63 119.33 15.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.95 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.8 t -106.69 128.5 61.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.114 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.7 p -146.98 150.76 35.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.168 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.439 ' HB1' ' CE2' ' A' ' 72' ' ' TYR . . . -154.99 160.38 30.96 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.602 0.715 . . . . 0.0 111.124 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 104.44 1.32 Allowed 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.744 2.296 . . . . 0.0 112.333 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.46 27.89 16.32 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.12 151.8 68.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.526 0.679 . . . . 0.0 111.138 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 144.82 55.34 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 139.23 39.64 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.678 2.252 . . . . 0.0 112.295 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.425 HD11 ' N ' ' A' ' 51' ' ' GLN . 5.2 tp -126.42 127.71 45.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.425 ' N ' HD11 ' A' ' 50' ' ' LEU . 20.2 tt0 -125.91 136.03 52.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.556 ' HB1' ' CE2' ' A' ' 61' ' ' TYR . . . -151.61 160.99 43.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -136.1 160.13 39.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.7 t -153.05 145.22 16.95 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.602 0.715 . . . . 0.0 111.123 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 149.28 66.5 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.637 2.225 . . . . 0.0 112.319 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.11 -13.17 3.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.54 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.4 t -77.06 8.89 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.824 0.345 . . . . 0.0 110.793 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -125.97 139.97 53.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.071 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.1 m -119.59 26.68 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -170.85 137.46 1.25 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.556 ' CE2' ' HB1' ' A' ' 52' ' ' ALA . 12.2 t80 -133.06 96.48 17.61 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.72 0.771 . . . . 0.0 110.934 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 124.43 11.07 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.679 2.253 . . . . 0.0 112.379 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 mt -98.57 134.85 40.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -120.64 179.07 4.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.7 t70 57.75 40.13 26.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 70.2 mt -105.28 117.75 34.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 63.2 t -53.16 134.8 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.03 160.39 29.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 56.77 48.74 15.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.819 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 89.7 m -152.14 130.06 11.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.193 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 35.2 p-10 -78.19 99.1 6.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.439 ' CE2' ' HB1' ' A' ' 44' ' ' ALA . 12.0 m-85 -91.99 140.54 29.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 70.4 m -114.03 120.77 41.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -112.62 141.1 46.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.2 m -125.06 111.79 15.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.47 HG12 ' N ' ' A' ' 77' ' ' ARG . 72.9 t -96.39 147.08 6.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.47 ' N ' HG12 ' A' ' 76' ' ' VAL . 50.4 mtm-85 -142.59 170.72 15.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -125.91 118.21 3.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.4 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.417 ' CD1' HD23 ' A' ' 84' ' ' LEU . 4.5 mm? -90.15 99.73 12.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 0.0 110.849 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.537 ' CZ ' ' ND2' ' A' ' 33' ' ' ASN . 38.0 mtp180 -117.23 94.41 4.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.35 -151.12 50.5 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 3.46 2.73 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.661 2.24 . . . . 0.0 112.395 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -121.49 171.09 9.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.417 HD23 ' CD1' ' A' ' 79' ' ' LEU . 6.6 mt -127.55 164.96 20.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 58.2 p -103.49 178.02 4.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.1 m -71.78 127.86 90.28 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.619 0.723 . . . . 0.0 110.832 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 140.62 43.24 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.702 2.268 . . . . 0.0 112.335 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -129.73 115.61 17.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.9 t -116.31 171.43 7.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.458 ' CG2' HD23 ' A' ' 14' ' ' LEU . 16.7 tt -162.73 156.34 2.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.7 m -110.79 113.47 26.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.168 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -126.64 141.65 51.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 35.7 m -92.58 130.13 38.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.155 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 74.6 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.151 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 80' ' ' ARG . 12.3 m-20 . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.851 0.357 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.457 ' N ' ' HB ' ' A' ' 85' ' ' THR . . . -97.45 -170.14 33.09 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 138.05 36.72 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.326 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.1 p -135.83 163.54 29.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.147 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 61.23 36.64 17.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.434 ' CD2' HG22 ' A' ' 90' ' ' ILE . 7.4 tp -60.36 109.66 1.05 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -118.47 152.68 35.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 179.915 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.804 0.335 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.9 m -135.06 157.55 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 mt -99.59 153.1 19.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -141.09 118.63 11.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.571 ' CZ2' ' CD2' ' A' ' 38' ' ' TYR . 2.3 p90 -129.54 154.12 47.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 ttmm -95.26 127.41 42.46 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.628 0.728 . . . . 0.0 110.866 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 121.2 7.91 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.708 2.272 . . . . 0.0 112.34 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.4 Cg_endo -69.76 170.0 17.6 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.689 2.26 . . . . 0.0 112.316 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 31' ' ' PRO . 28.7 tt0 -34.59 -51.72 0.49 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -108.53 120.92 44.95 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.552 0.691 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 117.29 5.0 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.633 2.222 . . . . 0.0 112.369 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.563 HG22 ' CE1' ' A' ' 38' ' ' TYR . 15.5 m -58.04 -178.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -94.16 -54.13 3.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.3 p -142.29 134.55 27.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.169 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.571 ' CD2' ' CZ2' ' A' ' 28' ' ' TRP . 86.9 m-85 -92.04 126.99 37.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -95.11 107.29 19.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.432 HG21 ' N ' ' A' ' 41' ' ' GLN . 5.3 mp -107.21 135.59 45.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.432 ' N ' HG21 ' A' ' 40' ' ' ILE . 41.6 tt0 -129.87 116.17 18.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.466 ' CG2' HD22 ' A' ' 63' ' ' LEU . 30.4 t -108.8 134.41 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 47.7 p -146.98 164.42 33.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.429 ' HB1' ' CE1' ' A' ' 72' ' ' TYR . . . -159.69 162.54 24.83 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.593 0.711 . . . . 0.0 111.072 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 85.75 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.672 2.248 . . . . 0.0 112.398 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.5 -37.43 3.47 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.46 151.7 97.07 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.593 0.711 . . . . 0.0 111.05 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.76 148.55 65.33 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.656 2.238 . . . . 0.0 112.348 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 137.91 36.26 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.654 2.236 . . . . 0.0 112.301 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.5 tp -119.78 130.17 54.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.976 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -125.3 122.16 36.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.536 ' HB3' ' CE2' ' A' ' 61' ' ' TYR . . . -141.02 169.66 17.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -146.64 166.06 27.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.465 ' HB ' ' CE1' ' A' ' 61' ' ' TYR . 5.0 t -159.6 143.18 10.63 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.573 0.701 . . . . 0.0 111.134 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 150.98 68.71 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.613 2.209 . . . . 0.0 112.317 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.48 -14.88 5.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.507 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.4 t -74.67 5.01 5.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.349 . . . . 0.0 110.863 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -124.6 132.51 53.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.129 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.1 m -112.48 29.13 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.125 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -170.3 140.85 1.93 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.536 ' CE2' ' HB3' ' A' ' 52' ' ' ALA . 7.1 t80 -133.41 96.62 16.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.659 0.742 . . . . 0.0 110.9 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 105.93 1.58 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.741 2.294 . . . . 0.0 112.332 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.466 HD22 ' CG2' ' A' ' 42' ' ' VAL . 7.6 mt -79.56 127.57 32.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.5 p80 -115.88 173.61 6.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.6 t0 59.49 51.29 6.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.3 mt -118.57 116.49 26.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.8 t -54.45 132.52 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.436 HD11 ' N ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -75.37 166.72 23.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.958 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.445 ' N ' ' CD2' ' A' ' 69' ' ' HIS . 3.4 m170 53.34 40.59 31.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 86.3 m -147.07 130.96 17.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.402 ' OD1' ' C ' ' A' ' 71' ' ' ASN . 3.4 t-20 -70.94 121.1 17.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.9 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.429 ' CE1' ' HB1' ' A' ' 44' ' ' ALA . 13.9 m-85 -119.65 127.36 52.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 94.8 m -106.86 120.52 42.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.124 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -110.5 142.51 42.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.063 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.3 m -128.29 112.05 14.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.133 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' ' 77' ' ' ARG . 64.0 t -95.77 150.93 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.428 ' N ' HG13 ' A' ' 76' ' ' VAL . 52.6 mtm-85 -143.07 173.17 11.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -126.44 114.45 2.03 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.432 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.409 ' N ' HD23 ' A' ' 79' ' ' LEU . 3.7 mm? -86.46 101.5 13.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.778 0.323 . . . . 0.0 110.949 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 9' ' ' ASP . 18.2 mtm180 -122.01 95.33 4.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 63.92 -153.38 47.7 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.491 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 3.95 2.46 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.701 2.267 . . . . 0.0 112.347 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -120.01 173.08 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 mt -128.74 156.93 42.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.457 ' HB ' ' N ' ' A' ' 10' ' ' GLY . 12.5 p -97.95 174.98 6.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.4 p -67.35 127.06 93.37 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.656 0.741 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 148.06 64.09 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.712 2.275 . . . . 0.0 112.328 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.72 115.59 13.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.096 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.3 t -118.3 160.51 21.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.434 HG22 ' CD2' ' A' ' 14' ' ' LEU . 18.2 tt -152.71 150.66 12.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.178 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.5 m -102.33 113.79 27.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.119 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.545 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 18.4 p90 -137.53 130.41 30.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 24.2 m -75.13 147.61 40.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.087 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.4 p . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.42 ' C ' HG21 ' A' ' 85' ' ' THR . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.819 0.342 . . . . 0.0 110.831 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.402 ' N ' ' HB ' ' A' ' 85' ' ' THR . . . -109.45 -173.77 20.96 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.448 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 137.03 34.39 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.5 p -138.54 166.36 24.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 62.67 40.96 9.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.957 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.46 ' CD2' HG21 ' A' ' 90' ' ' ILE . 3.6 tp -69.0 140.42 55.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.943 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -141.23 162.0 36.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.079 179.9 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.888 0.375 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -127.05 163.48 29.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 35.6 mt -105.06 139.17 40.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -124.53 118.75 27.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.459 ' HB3' ' CD1' ' A' ' 14' ' ' LEU . 1.8 p90 -129.45 151.9 49.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.43 ' HE3' ' N ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -93.53 128.14 43.42 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.548 0.69 . . . . 0.0 110.925 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 126.14 12.97 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.741 2.294 . . . . 0.0 112.299 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 173.33 11.19 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.599 2.199 . . . . 0.0 112.317 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -46.24 -48.82 17.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -103.77 123.02 42.62 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.67 0.748 . . . . 0.0 110.831 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 132.35 23.09 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.67 2.247 . . . . 0.0 112.345 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.523 HG21 ' CE1' ' A' ' 38' ' ' TYR . 22.8 m -80.69 -177.38 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.156 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -97.25 -55.38 2.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.4 p -142.02 135.21 29.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.523 ' CE1' HG21 ' A' ' 35' ' ' VAL . 90.2 m-85 -92.07 133.78 35.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -98.41 101.62 13.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.826 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.1 mp -102.27 137.98 28.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -137.43 113.49 9.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.9 t -100.53 129.07 51.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.166 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.5 p -141.59 157.58 44.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.475 ' HB3' ' CE1' ' A' ' 72' ' ' TYR . . . -155.72 163.32 25.11 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 0.0 111.14 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.81 82.6 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.726 2.284 . . . . 0.0 112.29 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 117.41 -35.11 4.26 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.476 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.36 151.63 96.79 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.546 0.688 . . . . 0.0 111.113 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 148.33 65.29 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.696 2.264 . . . . 0.0 112.311 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 145.03 56.46 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 0.0 112.324 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.444 HD11 ' N ' ' A' ' 51' ' ' GLN . 3.7 tp -128.55 130.14 46.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.444 ' N ' HD11 ' A' ' 50' ' ' LEU . 8.1 tp60 -123.11 116.29 23.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.562 ' HB3' ' CE2' ' A' ' 61' ' ' TYR . . . -137.75 154.97 49.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -130.81 162.68 29.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.479 ' HB ' ' CD1' ' A' ' 61' ' ' TYR . 1.2 t -151.85 145.98 18.25 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.559 0.695 . . . . 0.0 111.251 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 147.96 64.56 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.74 2.293 . . . . 0.0 112.355 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.99 -16.1 5.74 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.498 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 95.1 p -82.66 19.04 1.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.815 0.34 . . . . 0.0 110.875 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -129.4 131.95 46.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.0 m -115.11 27.43 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.183 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -170.61 133.78 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.824 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 52' ' ' ALA . 12.6 t80 -132.22 97.45 18.12 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.628 0.727 . . . . 0.0 110.951 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 125.09 11.74 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.647 2.231 . . . . 0.0 112.351 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.1 mt -108.45 120.32 42.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -105.56 -179.58 3.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.79 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 63.56 49.76 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 44.2 mt -114.6 121.46 43.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 68' ' ' LEU . 91.8 t -55.64 133.72 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.155 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.413 ' N ' HG12 ' A' ' 67' ' ' VAL . 0.6 OUTLIER -77.66 155.45 31.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.975 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 11.8 m170 60.89 49.6 5.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.5 m -161.65 139.49 9.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.203 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -76.92 133.27 39.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.837 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.475 ' CE1' ' HB3' ' A' ' 44' ' ' ALA . 10.5 m-85 -123.16 134.55 54.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.1 m -106.52 120.54 42.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.144 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -115.22 117.27 30.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.1 m -106.82 116.73 32.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 45.9 t -105.2 145.21 13.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 65.7 mtm-85 -138.13 172.92 12.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -125.46 128.52 6.59 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -94.57 100.43 12.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.763 0.316 . . . . 0.0 110.93 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 29.9 mmm-85 -119.76 95.52 4.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.98 -152.62 50.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.439 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 3.69 2.6 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.737 2.291 . . . . 0.0 112.291 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -121.39 178.08 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.9 mt -126.94 163.06 24.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.42 HG21 ' C ' ' A' ' 9' ' ' ASP . 44.4 p -98.7 176.11 5.75 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.154 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 85.8 p -69.08 126.06 92.46 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.652 0.739 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 142.67 48.93 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.709 2.273 . . . . 0.0 112.395 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.39 117.4 16.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 26.3 t -126.14 152.45 45.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.826 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.46 HG21 ' CD2' ' A' ' 14' ' ' LEU . 18.7 tt -142.69 158.2 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.16 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.405 ' N ' HG12 ' A' ' 90' ' ' ILE . 0.7 OUTLIER -105.03 125.47 51.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.164 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.47 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 36.6 p90 -142.56 128.95 20.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.805 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 96.0 m -91.32 133.78 35.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.3 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.546 ' CB ' ' CZ ' ' A' ' 80' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.825 0.345 . . . . 0.0 110.86 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.23 -157.69 13.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 121.69 8.38 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.624 2.216 . . . . 0.0 112.387 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 65.6 p -128.89 166.08 19.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 63.82 34.81 11.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.427 HD23 ' CG2' ' A' ' 90' ' ' ILE . 4.7 tp -58.27 125.55 23.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.965 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -127.88 172.45 10.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.804 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.963 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.835 0.35 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -135.0 159.23 41.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.158 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.405 HD22 ' CB ' ' A' ' 74' ' ' ALA . 34.5 mt -102.02 143.34 31.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -126.56 119.04 26.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.831 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.489 ' CZ2' ' CD2' ' A' ' 38' ' ' TYR . 1.8 p90 -129.23 153.28 47.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -92.55 122.35 64.47 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.582 0.706 . . . . 0.0 110.935 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 114.35 3.66 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.724 2.283 . . . . 0.0 112.322 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.6 Cg_endo -69.83 150.38 67.74 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.726 2.284 . . . . 0.0 112.329 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 31' ' ' PRO . 30.0 tt0 -34.28 -38.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.434 ' ND2' ' HB3' ' A' ' 9' ' ' ASP . 0.3 OUTLIER -96.78 106.64 31.75 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.621 0.724 . . . . 0.0 110.869 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 110.82 2.67 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.659 2.239 . . . . 0.0 112.311 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.511 HG23 ' CE1' ' A' ' 38' ' ' TYR . 14.3 m -60.87 -175.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.113 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -97.79 -55.73 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 39.4 p -141.89 140.63 32.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.521 ' CE2' ' HA2' ' A' ' 56' ' ' GLY . 73.8 m-85 -97.19 126.69 42.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -94.99 100.82 12.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.839 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.2 mt -100.79 134.93 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -132.44 111.73 11.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.468 HG22 ' CD1' ' A' ' 63' ' ' LEU . 62.9 t -97.63 130.97 45.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 67.8 p -145.97 161.16 40.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -165.1 157.43 13.58 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.534 0.683 . . . . 0.0 111.136 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 99.99 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.641 2.227 . . . . 0.0 112.321 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 99.95 27.0 8.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.553 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.76 152.04 61.57 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.627 0.727 . . . . 0.0 111.078 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.63 146.44 61.03 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.391 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 139.9 41.44 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.667 2.245 . . . . 0.0 112.312 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.1 tp -122.55 128.4 50.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -124.68 132.75 53.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -149.3 174.45 12.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.089 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -150.73 159.52 44.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.4 t -157.32 144.08 13.31 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.517 0.675 . . . . 0.0 111.169 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 144.0 52.65 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.717 2.278 . . . . 0.0 112.334 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.521 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -39.66 -45.47 2.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 56' ' ' GLY . 66.8 m -35.04 -40.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.895 0.378 . . . . 0.0 110.849 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.78 146.04 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.1 m -124.0 19.79 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -168.44 143.25 3.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.977 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -132.08 96.69 19.45 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.686 0.755 . . . . 0.0 110.967 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 109.03 2.2 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.331 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.468 ' CD1' HG22 ' A' ' 42' ' ' VAL . 2.8 mt -86.59 132.17 33.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -120.39 172.98 7.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.3 t0 68.17 44.67 1.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.7 mp -109.04 145.29 35.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.0 t -71.59 128.06 34.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.483 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -64.86 169.99 4.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.438 ' C ' ' O ' ' A' ' 68' ' ' LEU . 9.7 m-70 34.98 50.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.8 m -146.5 133.06 19.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -74.47 114.96 13.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -111.44 125.78 54.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 78.1 m -101.78 123.22 45.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.078 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.405 ' CB ' HD22 ' A' ' 26' ' ' LEU . . . -109.98 152.39 25.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.056 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 39.1 m -134.87 106.35 6.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.081 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.432 HG12 ' N ' ' A' ' 77' ' ' ARG . 29.0 t -94.37 146.46 6.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.478 ' NE ' HD22 ' A' ' 84' ' ' LEU . 20.7 mtt180 -142.41 168.64 19.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -126.31 110.78 1.31 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -82.9 95.69 8.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.805 0.335 . . . . 0.0 110.94 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.546 ' CZ ' ' CB ' ' A' ' 9' ' ' ASP . 23.0 mtm180 -107.33 93.79 4.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.82 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.31 -149.08 51.14 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.501 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 5.11 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.644 2.23 . . . . 0.0 112.318 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -125.36 164.86 19.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.478 HD22 ' NE ' ' A' ' 77' ' ' ARG . 8.2 tp -124.4 155.96 37.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.441 ' N ' ' HG ' ' A' ' 84' ' ' LEU . 2.0 p -96.51 171.3 8.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.174 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 55.4 m -66.33 130.68 94.24 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.743 0.782 . . . . 0.0 110.79 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 147.35 62.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.73 2.287 . . . . 0.0 112.341 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -131.57 115.62 16.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.8 t -117.17 154.18 31.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.863 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.434 HG12 ' N ' ' A' ' 91' ' ' THR . 17.7 tt -147.59 159.65 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.112 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.434 ' N ' HG12 ' A' ' 90' ' ' ILE . 4.7 m -105.92 131.63 53.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -155.77 132.24 10.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.6 m -80.22 145.5 32.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.9 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 -179.967 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.413 ' C ' HG23 ' A' ' 85' ' ' THR . 3.5 m-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.26 -170.18 23.05 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.394 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 131.89 22.19 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.344 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.8 p -136.65 175.28 9.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 54.99 37.83 29.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 28' ' ' TRP . 6.2 tp -60.07 121.5 12.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -119.1 158.57 25.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.062 179.94 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.855 0.36 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 m -134.56 159.41 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.2 mt -99.86 150.71 22.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -130.21 119.74 23.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.865 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.601 ' CZ2' ' CD2' ' A' ' 38' ' ' TYR . 1.8 p90 -128.41 153.38 47.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -91.98 124.83 58.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.586 0.708 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 123.29 9.95 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.691 2.261 . . . . 0.0 112.352 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.2 Cg_endo -69.74 160.0 51.32 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.589 2.193 . . . . 0.0 112.326 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 31' ' ' PRO . 56.3 tt0 -36.41 -41.6 0.29 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -109.01 122.42 39.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.588 0.708 . . . . 0.0 110.962 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 115.86 4.3 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.723 2.282 . . . . 0.0 112.278 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.542 HG22 ' CE1' ' A' ' 38' ' ' TYR . 35.2 m -63.62 180.0 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -89.63 -58.29 2.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 31.0 p -140.98 144.94 35.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.601 ' CD2' ' CZ2' ' A' ' 28' ' ' TRP . 68.6 m-85 -98.28 130.11 44.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -94.85 102.78 14.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.412 HG22 ' N ' ' A' ' 41' ' ' GLN . 16.8 mt -106.0 136.18 41.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.412 ' N ' HG22 ' A' ' 40' ' ' ILE . 27.1 tt0 -137.94 118.44 13.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.5 t -106.73 132.85 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.1 p -144.86 163.49 33.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.564 ' HB1' ' CE1' ' A' ' 72' ' ' TYR . . . -161.06 152.47 15.97 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.587 0.708 . . . . 0.0 111.057 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 81.68 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 128.2 -7.84 6.72 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.511 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -110.53 154.74 42.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.524 0.678 . . . . 0.0 111.139 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.91 152.48 68.56 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.698 2.265 . . . . 0.0 112.302 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 138.22 37.57 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.685 2.257 . . . . 0.0 112.4 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.6 tp -125.61 130.44 51.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.94 136.44 53.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -151.4 150.07 30.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.079 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -132.76 159.21 40.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.56 147.52 15.53 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.658 0.742 . . . . 0.0 111.106 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 145.52 57.35 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.595 2.197 . . . . 0.0 112.34 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -44.56 -38.91 5.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.2 p -40.34 -29.47 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.345 . . . . 0.0 110.902 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -91.8 148.95 21.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.071 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.0 m -120.6 16.63 6.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.178 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -170.97 151.78 3.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -139.36 111.9 7.82 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-O 121.676 0.751 . . . . 0.0 110.94 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 116.2 4.45 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.65 2.233 . . . . 0.0 112.361 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.5 mt -95.52 104.63 16.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -93.82 176.03 6.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.2 t70 63.4 52.11 2.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 81.5 mt -116.19 109.07 16.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.7 t -42.13 134.89 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.157 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.412 HD11 ' N ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -80.8 152.89 28.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.956 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 13.3 m170 64.25 41.83 5.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.803 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 48.5 m -156.24 138.58 14.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -76.59 139.89 40.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.564 ' CE1' ' HB1' ' A' ' 44' ' ' ALA . 10.2 m-85 -130.57 129.87 43.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.1 m -99.42 123.7 43.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.16 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -115.89 137.58 51.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.6 m -126.81 118.05 23.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.557 HG12 ' CZ3' ' A' ' 28' ' ' TRP . 12.5 t -110.62 135.38 49.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.119 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 -130.13 169.44 15.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -114.11 132.67 10.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.502 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -98.09 101.12 12.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.818 0.342 . . . . 0.0 110.952 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 34.6 mtp180 -122.1 94.35 4.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 62.73 -152.44 45.64 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.444 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.77 3.87 2.53 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.687 2.258 . . . . 0.0 112.329 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -118.05 173.62 6.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.2 mt -128.99 156.91 43.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.413 HG23 ' C ' ' A' ' 9' ' ' ASP . 60.0 p -95.3 177.69 5.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 83.8 p -69.43 130.38 90.85 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.633 0.73 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.82 142.38 47.5 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.639 2.226 . . . . 0.0 112.337 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -133.42 115.65 15.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.048 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 74' ' ' ALA . 9.0 t -122.58 170.04 10.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 17.3 tt -161.05 150.71 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.126 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.75 125.52 45.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -140.33 144.86 36.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 44.7 m -99.5 144.78 28.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.173 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.4 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.465 ' HB2' ' CZ ' ' A' ' 80' ' ' ARG . 21.5 p-10 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.799 0.333 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.415 ' N ' ' HB ' ' A' ' 85' ' ' THR . . . -118.64 -170.33 14.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.491 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 132.49 23.49 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.637 2.225 . . . . 0.0 112.429 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.77 173.49 11.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 56.32 40.92 29.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 28' ' ' TRP . 8.3 tp -58.38 125.08 21.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 16' ' ' ALA . 23.0 tpt85 -113.97 150.0 34.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.424 ' N ' ' HG3' ' A' ' 15' ' ' ARG . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.827 0.346 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -134.37 158.98 42.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.083 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.7 mt -99.08 160.94 13.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.919 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -141.1 118.77 11.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.458 ' HB3' ' CD1' ' A' ' 14' ' ' LEU . 1.9 p90 -129.29 154.03 47.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -87.76 117.42 68.47 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.539 0.685 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.71 119.91 6.79 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.677 2.252 . . . . 0.0 112.346 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 160.01 51.27 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.685 2.257 . . . . 0.0 112.348 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -44.88 -39.93 5.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.529 ' ND2' ' NH1' ' A' ' 80' ' ' ARG . 0.6 OUTLIER -97.31 109.46 49.97 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.606 0.717 . . . . 0.0 110.898 -179.913 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 111.83 2.91 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.74 2.293 . . . . 0.0 112.328 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.519 HG22 ' CE1' ' A' ' 38' ' ' TYR . 12.9 m -61.52 -177.03 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -96.19 -52.68 3.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.2 p -141.92 136.65 30.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.519 ' CE1' HG22 ' A' ' 35' ' ' VAL . 83.8 m-85 -95.85 129.58 43.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -97.05 115.26 27.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.968 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.428 HG23 ' N ' ' A' ' 41' ' ' GLN . 5.3 mp -113.63 136.29 50.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.165 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.428 ' N ' HG23 ' A' ' 40' ' ' ILE . 49.8 tt0 -130.17 115.04 16.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.0 t -105.65 127.16 60.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.086 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 44.6 p -141.76 163.84 31.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.101 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -161.67 165.44 16.38 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.59 0.71 . . . . 0.0 111.093 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 86.13 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.733 2.289 . . . . 0.0 112.326 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.44 -39.67 2.68 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.03 149.92 96.09 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.568 0.699 . . . . 0.0 111.167 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 150.31 67.96 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.604 2.203 . . . . 0.0 112.334 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.81 135.92 31.57 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.625 2.217 . . . . 0.0 112.363 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.1 tp -117.74 129.78 55.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -123.38 121.18 35.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.541 ' HB3' ' CE2' ' A' ' 61' ' ' TYR . . . -143.94 166.51 24.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.091 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -139.95 169.73 17.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -157.82 148.02 15.7 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.574 0.702 . . . . 0.0 111.088 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 151.14 68.9 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.605 2.203 . . . . 0.0 112.349 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.34 -17.76 40.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.0 t -75.17 5.23 5.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.812 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.54 147.73 38.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.0 m -123.47 19.34 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -169.41 141.45 2.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.541 ' CE2' ' HB3' ' A' ' 52' ' ' ALA . 15.0 t80 -125.1 98.5 35.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.638 0.733 . . . . 0.0 110.889 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 112.05 2.96 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 13.0 mt -97.53 131.39 44.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.2 p80 -118.92 178.43 4.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.14 51.39 4.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 44.2 mt -115.08 127.3 55.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 67.8 t -59.96 132.17 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.64 157.63 30.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 58.51 46.74 14.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.8 m -150.29 138.46 20.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -77.81 110.3 12.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -109.44 128.77 55.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 94.3 m -104.64 119.64 39.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.108 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -109.46 141.21 42.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.166 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.2 m -133.5 120.04 20.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.165 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.435 HG11 ' CE3' ' A' ' 28' ' ' TRP . 62.0 t -106.32 151.73 8.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 51.9 mtm-85 -142.18 171.29 14.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -123.91 126.31 6.13 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.444 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.444 HD12 ' CD2' ' A' ' 84' ' ' LEU . 4.5 mm? -96.79 102.62 14.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.791 0.329 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.529 ' NH1' ' ND2' ' A' ' 33' ' ' ASN . 26.8 mtm180 -121.89 94.05 4.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 67.15 -153.5 52.9 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.414 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.65 3.42 2.73 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.707 2.271 . . . . 0.0 112.365 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -120.02 175.47 5.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.444 ' CD2' HD12 ' A' ' 79' ' ' LEU . 4.0 mt -127.81 166.91 17.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.415 HG21 ' C ' ' A' ' 9' ' ' ASP . 59.0 p -105.96 177.99 4.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.144 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.3 m -71.22 129.37 89.23 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.739 0.78 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 149.26 66.05 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.684 2.256 . . . . 0.0 112.254 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -138.19 115.58 11.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.105 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.5 t -121.65 168.85 11.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.867 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 16.4 tt -157.51 156.47 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.066 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 14.7 m -109.24 114.54 28.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -130.63 154.04 48.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 35.3 m -107.29 127.53 53.63 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.076 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.8 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.441 ' OD2' ' NH2' ' A' ' 80' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.851 0.358 . . . . 0.0 110.891 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -116.83 -164.57 13.6 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.525 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 124.52 11.18 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.781 2.321 . . . . 0.0 112.306 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.3 p -127.26 172.48 10.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.165 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 56.56 38.18 29.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.461 HD23 ' CG2' ' A' ' 90' ' ' ILE . 6.6 tp -62.52 128.87 38.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.8 ttm-85 -141.5 164.23 30.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.072 179.922 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.566 ' HB3' ' CE2' ' A' ' 92' ' ' PHE . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.813 0.34 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -135.0 163.33 36.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.4 mt -94.08 149.53 21.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.964 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -134.91 118.92 17.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.823 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.517 ' CE3' HG12 ' A' ' 76' ' ' VAL . 1.9 p90 -129.37 153.95 47.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -92.92 121.77 65.14 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.56 0.695 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 121.17 7.86 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.712 2.274 . . . . 0.0 112.331 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.0 Cg_endo -69.75 161.85 44.33 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.703 2.269 . . . . 0.0 112.352 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 31' ' ' PRO . 0.5 OUTLIER -34.32 -54.66 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.46 121.72 54.02 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.605 0.717 . . . . 0.0 110.842 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 120.24 7.05 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.783 2.322 . . . . 0.0 112.327 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.593 ' CG2' ' CE1' ' A' ' 38' ' ' TYR . 5.0 m -62.06 -178.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -87.94 -59.19 2.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.1 p -141.93 145.31 34.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.092 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.593 ' CE1' ' CG2' ' A' ' 35' ' ' VAL . 76.4 m-85 -100.24 130.64 46.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -96.94 106.5 18.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.428 HG21 ' N ' ' A' ' 41' ' ' GLN . 5.1 mp -106.26 136.05 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.428 ' N ' HG21 ' A' ' 40' ' ' ILE . 20.2 tt0 -137.01 117.22 13.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.467 HG22 ' CD2' ' A' ' 63' ' ' LEU . 82.3 t -109.26 130.23 62.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.2 p -146.72 174.86 11.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.198 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -168.78 159.58 8.22 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.588 0.709 . . . . 0.0 111.129 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -9.29 25.75 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.741 2.294 . . . . 0.0 112.299 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -147.09 37.11 1.18 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.48 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.65 154.9 35.73 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.569 0.7 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 147.32 62.24 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 145.35 57.13 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.723 2.282 . . . . 0.0 112.344 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.7 tp -130.07 135.1 47.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -132.75 128.69 37.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -150.8 172.07 16.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -147.98 155.04 41.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.42 HG22 ' CD2' ' A' ' 61' ' ' TYR . 0.1 OUTLIER -148.66 151.8 36.49 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.604 0.716 . . . . 0.0 111.105 -179.869 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 148.51 65.34 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.695 2.264 . . . . 0.0 112.329 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.554 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -51.31 -34.3 33.08 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.53 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 t -52.39 -17.88 1.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.823 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.4 152.22 22.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.2 m -128.89 14.56 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.154 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -171.03 148.0 2.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.42 ' CD2' HG22 ' A' ' 54' ' ' THR . 33.5 t80 -138.69 106.08 7.59 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.645 0.736 . . . . 0.0 110.961 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 134.2 27.38 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.652 2.234 . . . . 0.0 112.32 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.467 ' CD2' HG22 ' A' ' 42' ' ' VAL . 14.8 mt -104.93 136.81 43.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -122.02 177.17 5.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.815 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 63.25 41.44 7.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.6 mp -109.9 137.41 47.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 68' ' ' LEU . 86.5 t -78.39 117.6 24.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 67' ' ' VAL . 0.6 OUTLIER -34.66 -74.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.963 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -76.51 69.69 2.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 65.9 m -163.95 135.34 4.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -85.17 127.19 34.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -119.16 125.64 49.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 45.8 m -103.34 118.9 37.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.085 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -106.51 142.43 36.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.049 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.5 m -124.35 109.24 13.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.517 HG12 ' CE3' ' A' ' 28' ' ' TRP . 21.2 t -96.4 139.48 19.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 19.3 mtt85 -140.14 152.74 46.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -107.44 121.62 6.54 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.529 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -87.8 105.24 17.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.753 0.311 . . . . 0.0 110.992 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.441 ' NH2' ' OD2' ' A' ' 9' ' ' ASP . 21.6 mmm-85 -122.01 95.15 4.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 61.6 -152.34 42.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.567 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 3.75 2.58 Favored 'Trans proline' 0 N--CA 1.465 -0.199 0 C-N-CA 122.676 2.251 . . . . 0.0 112.369 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -117.55 176.35 5.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.957 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.5 mt -128.73 160.89 31.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.422 HG21 ' C ' ' A' ' 9' ' ' ASP . 38.6 p -102.66 176.0 5.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 49.8 m -68.43 123.6 87.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.646 0.736 . . . . 0.0 110.875 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.78 144.39 53.77 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.637 2.225 . . . . 0.0 112.332 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -126.99 116.75 21.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 29.5 t -117.52 158.17 25.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.461 ' CG2' HD23 ' A' ' 14' ' ' LEU . 7.0 tt -158.84 152.48 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.43 ' N ' HG12 ' A' ' 90' ' ' ILE . 0.7 OUTLIER -109.39 117.77 34.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 24' ' ' ALA . 41.1 p90 -130.78 124.34 31.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.2 m -79.6 140.21 37.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.105 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.0 p . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.084 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.446 ' HB3' ' ND2' ' A' ' 33' ' ' ASN . 25.7 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.87 0.367 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.82 -155.93 7.19 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.51 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.42 ' CB ' ' HB2' ' A' ' 28' ' ' TRP . 54.5 Cg_endo -69.69 122.81 9.51 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.712 2.275 . . . . 0.0 112.387 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.3 p -126.48 177.11 6.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 51.18 36.12 15.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.407 HD22 ' CG2' ' A' ' 90' ' ' ILE . 5.8 tp -57.94 112.39 1.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.7 mtt180 -113.74 151.5 31.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 179.891 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.801 0.334 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -126.35 152.86 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.2 mt -96.25 151.22 19.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -137.66 120.32 16.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.554 ' CZ2' ' CD2' ' A' ' 38' ' ' TYR . 2.2 p90 -129.25 154.21 47.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -94.28 125.71 51.21 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.614 0.721 . . . . 0.0 110.884 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 111.91 2.93 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.628 2.219 . . . . 0.0 112.363 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 167.72 23.58 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.249 . . . . 0.0 112.359 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -48.9 -51.26 30.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.446 ' ND2' ' HB3' ' A' ' 9' ' ' ASP . 5.8 p30 -72.16 111.83 12.29 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.598 0.713 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.77 113.98 3.55 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.653 2.235 . . . . 0.0 112.33 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.57 HG22 ' CE1' ' A' ' 38' ' ' TYR . 23.1 m -75.85 179.76 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.09 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -107.48 -55.96 2.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.0 p -142.4 139.74 31.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.098 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.57 ' CE1' HG22 ' A' ' 35' ' ' VAL . 84.6 m-85 -96.05 129.83 43.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -95.94 103.03 14.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.1 mp -98.88 132.79 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.139 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -132.36 117.07 17.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.4 t -110.09 132.27 58.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 38.6 p -143.86 172.17 13.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.109 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.509 ' HB1' ' CD1' ' A' ' 72' ' ' TYR . . . -169.32 150.54 4.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.555 0.693 . . . . 0.0 111.176 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 82.26 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.723 2.282 . . . . 0.0 112.341 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 125.17 -17.67 7.05 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.439 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -98.45 154.6 37.49 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.566 0.698 . . . . 0.0 111.102 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 150.15 67.85 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.755 2.303 . . . . 0.0 112.343 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 148.82 65.96 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.676 2.251 . . . . 0.0 112.397 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.1 tp -133.32 132.39 41.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.44 ' C ' ' CD ' ' A' ' 51' ' ' GLN . 8.9 tm0? -124.97 135.6 52.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -155.47 145.13 21.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.045 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -125.07 161.11 27.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -156.24 139.9 11.29 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.59 0.709 . . . . 0.0 111.177 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 151.98 69.36 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.733 2.289 . . . . 0.0 112.33 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 58' ' ' ALA . . . -45.0 -45.92 9.39 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.518 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.8 p -39.36 -25.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.937 0.399 . . . . 0.0 110.927 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 56' ' ' GLY . . . -93.03 143.94 25.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.105 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.3 m -123.47 17.3 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.7 p30 -171.23 149.43 2.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -139.89 107.07 6.9 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.673 0.749 . . . . 0.0 110.893 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 122.9 9.59 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.668 2.245 . . . . 0.0 112.364 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.0 mt -97.99 112.49 24.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -108.2 167.93 9.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.6 t70 70.95 44.32 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 36.0 mt -112.19 137.45 50.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 68' ' ' LEU . 98.2 t -66.49 134.57 29.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.076 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.427 ' N ' HG13 ' A' ' 67' ' ' VAL . 0.2 OUTLIER -75.06 162.89 28.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 50.48 43.57 27.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 59.5 m -144.93 127.47 16.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.157 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -71.93 98.18 1.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.509 ' CD1' ' HB1' ' A' ' 44' ' ' ALA . 11.7 m-85 -93.67 121.35 35.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.7 m -95.35 123.46 38.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.062 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -112.08 153.42 26.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.055 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.2 m -137.78 116.64 12.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.43 HG12 ' CZ3' ' A' ' 28' ' ' TRP . 45.0 t -109.38 142.52 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.409 ' N ' HG11 ' A' ' 76' ' ' VAL . 24.0 mtt180 -138.7 179.86 6.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -129.53 128.71 5.81 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.46 ' N ' HD21 ' A' ' 79' ' ' LEU . 4.3 mm? -87.58 92.65 9.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.773 0.32 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -112.85 97.1 6.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.813 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.4 -147.89 50.97 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 3.1 2.96 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.728 2.285 . . . . 0.0 112.308 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -133.37 174.94 9.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.954 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.5 mp -123.25 166.17 15.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.938 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 19.5 p -86.19 178.48 7.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.197 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.0 m -66.47 132.49 94.26 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.664 0.745 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 137.18 34.72 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.715 2.277 . . . . 0.0 112.295 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -125.8 115.57 20.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.7 t -117.5 149.7 40.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.407 ' CG2' HD22 ' A' ' 14' ' ' LEU . 17.6 tt -145.85 147.98 17.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.158 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.1 m -101.92 118.44 36.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -136.21 133.91 37.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 88.6 m -84.47 132.12 34.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.3 p . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.179 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.454 ' HB3' ' ND2' ' A' ' 33' ' ' ASN . 40.6 m-20 . . . . . 0 C--O 1.23 0.028 0 CA-C-O 120.889 0.376 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.0 -165.05 18.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.548 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 141.88 46.54 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.7 2.266 . . . . 0.0 112.354 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.8 p -143.8 -179.64 6.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.145 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 53.39 29.35 8.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 28' ' ' TRP . 4.6 tp -60.38 139.96 57.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -154.46 155.69 35.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.094 179.948 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.906 0.384 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.403 ' CG1' ' HB3' ' A' ' 62' ' ' PRO . 2.3 m -127.54 162.79 32.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.5 mt -100.16 142.36 31.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -125.97 118.88 26.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.856 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.47 ' HB3' ' CD1' ' A' ' 14' ' ' LEU . 1.9 p90 -129.46 154.12 47.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.37 123.05 61.61 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.588 0.709 . . . . 0.0 110.923 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 115.23 3.99 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.702 2.268 . . . . 0.0 112.353 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 32' ' ' GLN . 54.3 Cg_endo -69.74 150.63 68.57 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.383 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 31' ' ' PRO . 8.5 tp-100 -34.26 -46.01 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.454 ' ND2' ' HB3' ' A' ' 9' ' ' ASP . 0.3 OUTLIER -92.57 106.78 19.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.62 0.724 . . . . 0.0 110.899 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 116.13 4.42 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.696 2.264 . . . . 0.0 112.383 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.554 HG21 ' CE1' ' A' ' 38' ' ' TYR . 27.0 m -65.15 -175.68 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.127 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -97.65 -53.19 3.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.814 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.0 p -140.76 137.24 33.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.554 ' CE1' HG21 ' A' ' 35' ' ' VAL . 84.7 m-85 -94.86 125.53 39.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -95.75 112.41 24.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.463 HG21 ' N ' ' A' ' 41' ' ' GLN . 19.9 mt -113.52 135.98 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.463 ' N ' HG21 ' A' ' 40' ' ' ILE . 19.6 tt0 -129.67 107.92 9.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.463 HG22 ' CD2' ' A' ' 63' ' ' LEU . 2.0 t -103.18 118.41 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.6 p -138.56 161.12 37.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.47 154.7 16.06 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.64 0.733 . . . . 0.0 111.09 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.87 95.23 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.595 2.197 . . . . 0.0 112.352 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.02 17.25 6.89 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.23 156.8 64.28 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.585 0.707 . . . . 0.0 111.138 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 158.15 57.93 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.647 2.231 . . . . 0.0 112.375 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 146.05 59.44 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.632 2.221 . . . . 0.0 112.352 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.491 ' C ' ' CD1' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -112.29 121.37 44.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.455 ' N ' ' CD1' ' A' ' 50' ' ' LEU . 4.6 tm0? -125.98 114.5 18.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -155.04 143.12 20.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -120.84 160.09 24.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.955 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.437 HG21 ' CD2' ' A' ' 61' ' ' TYR . 0.1 OUTLIER -145.5 152.28 49.16 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.595 0.712 . . . . 0.0 111.16 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 149.6 67.55 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.258 . . . . 0.0 112.308 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.482 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -59.49 -15.01 30.43 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.7 t -79.21 11.68 2.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.807 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -110.75 157.16 20.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.091 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.425 ' HA ' ' NE1' ' A' ' 28' ' ' TRP . 29.7 m -125.96 -7.95 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.171 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -154.24 150.36 27.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.437 ' CD2' HG21 ' A' ' 54' ' ' THR . 15.8 t80 -134.97 99.36 12.46 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.757 0.789 . . . . 0.0 110.877 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.403 ' HB3' ' CG1' ' A' ' 25' ' ' VAL . 53.8 Cg_endo -69.66 117.66 5.21 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.743 2.296 . . . . 0.0 112.338 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.463 ' CD2' HG22 ' A' ' 42' ' ' VAL . 4.4 mt -92.72 132.92 36.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.949 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -117.63 164.73 14.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.4 t0 71.17 47.34 0.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.2 mt -110.57 120.25 41.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 86.4 t -54.92 130.88 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.195 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.434 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 1.2 mm? -77.74 158.14 29.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 61.15 46.67 7.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.46 HG22 ' CD1' ' A' ' 72' ' ' TYR . 18.8 m -157.89 130.79 7.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -72.38 111.24 7.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.46 ' CD1' HG22 ' A' ' 70' ' ' THR . 6.8 m-85 -104.29 133.17 49.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 56.1 m -102.01 119.97 39.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.103 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -111.84 131.29 55.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.0 m -123.65 119.72 30.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.46 HG11 ' N ' ' A' ' 77' ' ' ARG . 24.8 t -105.99 145.52 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.46 ' N ' HG11 ' A' ' 76' ' ' VAL . 54.5 mtm-85 -138.96 168.03 20.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -120.85 134.84 10.44 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.444 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.415 HD22 ' N ' ' A' ' 79' ' ' LEU . 3.5 mm? -100.41 102.35 13.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.797 0.332 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -122.06 94.16 4.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.68 -152.88 50.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 3.54 2.7 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.783 2.322 . . . . 0.0 112.283 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -119.42 177.59 4.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.3 mt -128.46 164.98 21.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.422 HG22 ' C ' ' A' ' 9' ' ' ASP . 40.3 p -102.31 176.53 5.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 82.6 p -69.21 124.13 89.76 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.683 0.754 . . . . 0.0 110.918 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 138.91 39.03 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.742 2.294 . . . . 0.0 112.386 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -122.8 115.66 22.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.9 t -108.22 152.69 24.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.837 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.485 HG13 ' N ' ' A' ' 91' ' ' THR . 1.4 tp -142.21 139.72 29.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.13 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.485 ' N ' HG13 ' A' ' 90' ' ' ILE . 34.0 m -109.55 110.02 20.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.158 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -135.84 155.64 50.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.405 HG22 ' N ' ' A' ' 94' ' ' THR . 57.6 m -99.72 138.51 36.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.405 ' N ' HG22 ' A' ' 93' ' ' THR . 11.5 p . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.423 ' C ' HG21 ' A' ' 85' ' ' THR . 4.3 m-20 . . . . . 0 C--O 1.229 0.018 0 CA-C-O 120.923 0.392 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -107.02 -166.75 22.27 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.446 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 138.66 38.43 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.644 2.229 . . . . 0.0 112.383 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.7 p -137.29 174.05 11.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 49.99 35.92 10.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.468 HD21 ' CG2' ' A' ' 90' ' ' ILE . 8.8 tp -58.1 130.49 46.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -135.93 -178.92 5.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.128 179.871 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.792 0.33 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -135.03 163.77 35.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.434 HD22 ' CB ' ' A' ' 74' ' ' ALA . 20.6 mt -101.48 141.4 34.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.94 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -125.81 119.15 27.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.761 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.485 ' CZ2' ' CD2' ' A' ' 38' ' ' TYR . 1.7 p90 -129.25 149.03 51.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -90.57 122.56 66.99 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.599 0.714 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 123.61 10.27 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.68 2.253 . . . . 0.0 112.334 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.7 Cg_endo -69.78 163.84 36.78 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.377 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 31' ' ' PRO . 6.3 tt0 -37.6 -48.08 0.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.425 ' ND2' ' CZ ' ' A' ' 80' ' ' ARG . 0.7 OUTLIER -104.38 121.43 47.38 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.591 0.71 . . . . 0.0 110.923 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.63 129.09 17.13 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.703 2.269 . . . . 0.0 112.356 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.553 HG22 ' CE1' ' A' ' 38' ' ' TYR . 33.2 m -71.52 -174.87 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.174 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -95.62 -57.76 2.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.1 p -140.7 142.93 34.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.108 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.553 ' CE1' HG22 ' A' ' 35' ' ' VAL . 71.5 m-85 -99.66 126.39 45.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -95.43 97.05 9.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' ' 41' ' ' GLN . 5.2 mp -97.31 138.83 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.443 ' N ' HG22 ' A' ' 40' ' ' ILE . 58.4 tt0 -137.92 109.58 7.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.459 HG22 ' CD1' ' A' ' 63' ' ' LEU . 96.1 t -99.94 127.35 52.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.8 p -146.75 168.52 21.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.212 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -173.68 154.64 2.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.575 0.702 . . . . 0.0 111.098 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 107.73 1.93 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.644 2.229 . . . . 0.0 112.342 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.77 20.23 37.78 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.18 152.69 75.77 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.538 0.685 . . . . 0.0 111.095 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 132.37 23.19 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.398 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.64 147.17 63.07 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.67 2.246 . . . . 0.0 112.312 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.456 HD13 ' N ' ' A' ' 51' ' ' GLN . 3.5 tp -132.98 130.56 39.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.456 ' N ' HD13 ' A' ' 50' ' ' LEU . 60.0 tt0 -130.95 140.4 50.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.44 ' CB ' ' OH ' ' A' ' 61' ' ' TYR . . . -159.16 177.96 10.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -145.86 159.53 43.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.2 t -156.51 144.46 14.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.58 0.705 . . . . 0.0 111.203 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.75 146.28 59.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.651 2.234 . . . . 0.0 112.342 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.443 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -42.58 -40.18 3.7 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.465 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' GLY . 3.7 m -37.61 -32.49 0.05 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.902 0.382 . . . . 0.0 110.923 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 56' ' ' GLY . . . -87.44 150.43 23.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.048 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.2 m -125.94 16.42 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -166.89 146.64 5.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.44 ' OH ' ' CB ' ' A' ' 52' ' ' ALA . 11.6 t80 -132.22 99.25 16.31 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.691 0.758 . . . . 0.0 111.002 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 129.02 16.91 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.459 ' CD1' HG22 ' A' ' 42' ' ' VAL . 4.3 mt -111.36 136.48 50.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -120.14 178.2 4.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.816 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 59.48 55.07 4.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.0 mt -124.9 123.98 41.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.1 t -58.51 113.54 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.149 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.04 -63.17 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.961 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -74.34 61.54 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.1 m -167.44 121.75 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -79.95 108.51 13.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -92.37 122.04 34.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.959 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 78.5 m -89.65 119.08 29.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.173 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.434 ' CB ' HD22 ' A' ' 26' ' ' LEU . . . -107.86 143.46 36.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.5 m -128.32 105.04 8.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.084 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.428 HG11 ' N ' ' A' ' 77' ' ' ARG . 24.8 t -91.53 144.11 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.474 ' HD2' ' CD1' ' A' ' 84' ' ' LEU . 49.2 mtm-85 -139.74 163.84 31.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -121.61 114.15 2.48 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.61 103.69 16.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.834 0.349 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.425 ' CZ ' ' ND2' ' A' ' 33' ' ' ASN . 45.5 mtp180 -121.73 96.83 5.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 67.26 -152.7 52.8 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 2.93 3.08 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.616 2.211 . . . . 0.0 112.379 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -121.06 162.9 19.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.474 ' CD1' ' HD2' ' A' ' 77' ' ' ARG . 7.9 tp -120.32 151.5 39.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.423 HG21 ' C ' ' A' ' 9' ' ' ASP . 33.7 p -91.39 168.24 11.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.1 p -66.41 128.77 94.02 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 121.637 0.732 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 152.68 69.26 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.67 2.246 . . . . 0.0 112.322 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -139.12 115.52 10.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.5 t -114.16 167.98 10.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.828 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.468 ' CG2' HD21 ' A' ' 14' ' ' LEU . 11.8 tt -162.48 147.97 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.134 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 5.5 m -100.33 119.95 39.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.148 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -138.96 130.12 26.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.44 142.63 32.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.3 p . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 -179.941 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.0 p -57.1 100.89 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 110.83 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.2 p -123.7 102.81 8.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.815 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.02 163.93 38.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.45 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -91.48 115.07 27.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 0.0 110.853 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 t -146.11 152.3 39.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.81 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.03 146.29 16.91 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.469 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.455 ' CG ' HG22 ' A' ' 12' ' ' THR . 53.7 Cg_endo -69.8 -165.81 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.667 2.245 . . . . 0.0 112.338 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.436 ' CB ' HG21 ' A' ' 85' ' ' THR . 65.6 m-20 -89.0 -19.4 25.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.89 -177.65 20.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.438 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 137.01 34.52 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.656 2.237 . . . . 0.0 112.344 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.455 HG22 ' CG ' ' A' ' 8' ' ' PRO . 5.7 p -140.58 173.43 11.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.174 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 55.21 40.14 31.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 28' ' ' TRP . 6.2 tp -58.71 125.21 22.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.977 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.404 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 47.5 ttt85 -122.93 154.86 37.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.921 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.404 ' N ' ' HG2' ' A' ' 15' ' ' ARG . . . -99.17 105.13 17.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.433 HD22 ' N ' ' A' ' 18' ' ' ASN . 1.5 tt -74.53 166.84 22.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.433 ' N ' HD22 ' A' ' 17' ' ' LEU . 1.7 t-20 -71.1 120.75 17.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.464 ' N ' HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.19 161.45 13.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.6 m -127.05 131.35 50.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 38.38 39.37 0.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 75.87 45.31 17.03 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.514 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.436 ' CZ ' ' HB2' ' A' ' 62' ' ' PRO . 2.2 t80 -123.16 113.85 19.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.958 0.408 . . . . 0.0 110.893 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.426 ' HB1' ' CE1' ' A' ' 92' ' ' PHE . . . -97.24 125.06 41.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.104 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.425 ' CG1' ' HB3' ' A' ' 62' ' ' PRO . 1.8 m -134.6 164.87 32.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.177 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.1 mt -104.38 151.67 23.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -138.34 118.99 13.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.501 ' CE3' HG12 ' A' ' 76' ' ' VAL . 2.3 p90 -127.75 153.76 46.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -93.68 124.06 58.03 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.554 0.692 . . . . 0.0 110.891 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 125.8 12.63 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.682 2.255 . . . . 0.0 112.357 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 32' ' ' GLN . 54.3 Cg_endo -69.83 166.09 28.86 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 31' ' ' PRO . 5.7 tp-100 -37.28 -45.47 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.953 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.64 123.26 35.2 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.668 0.746 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 141.68 45.52 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.311 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.686 ' CG2' ' CE1' ' A' ' 38' ' ' TYR . 9.5 m -85.38 -176.0 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -97.05 -49.91 4.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.823 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.2 p -142.11 139.24 32.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.166 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.686 ' CE1' ' CG2' ' A' ' 35' ' ' VAL . 94.6 m-85 -101.33 126.46 48.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -94.99 113.81 25.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.426 HG21 ' N ' ' A' ' 41' ' ' GLN . 4.5 mp -112.2 136.53 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.426 ' N ' HG21 ' A' ' 40' ' ' ILE . 10.3 tt0 -130.45 113.93 14.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.8 t -104.77 126.61 59.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.1 p -146.98 160.67 42.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -159.97 162.56 24.25 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.622 0.725 . . . . 0.0 111.052 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 88.4 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.723 2.282 . . . . 0.0 112.4 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.32 -38.01 3.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.05 151.87 95.97 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.616 0.722 . . . . 0.0 111.15 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 147.96 64.0 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 143.17 49.85 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.692 2.261 . . . . 0.0 112.286 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.6 tp -129.8 130.11 44.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -127.3 136.19 51.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -156.22 177.02 11.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.091 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -150.09 156.25 41.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.426 ' HB ' ' CD1' ' A' ' 61' ' ' TYR . 0.2 OUTLIER -141.67 147.55 46.14 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.555 0.693 . . . . 0.0 111.132 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 146.47 60.29 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.68 2.253 . . . . 0.0 112.315 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.63 -16.59 5.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.494 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 92.4 p -81.9 17.21 1.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 110.879 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.25 140.93 51.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.002 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.8 m -121.75 25.53 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -169.39 138.37 1.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.426 ' CD1' ' HB ' ' A' ' 54' ' ' THR . 11.2 t80 -132.9 96.44 17.99 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.639 0.733 . . . . 0.0 110.965 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.436 ' HB2' ' CZ ' ' A' ' 23' ' ' PHE . 53.2 Cg_endo -69.78 123.59 10.24 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.66 2.24 . . . . 0.0 112.387 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.3 mt -102.15 134.98 44.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.414 ' C ' HD11 ' A' ' 66' ' ' LEU . 1.1 p80 -121.52 179.52 4.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 63.72 31.95 14.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.565 HD22 ' CD2' ' A' ' 72' ' ' TYR . 5.5 mp -99.91 135.35 41.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.2 t -69.5 115.19 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.159 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -38.64 -70.89 0.09 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -75.33 70.14 2.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.4 m -169.94 126.96 0.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -82.47 109.73 16.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.565 ' CD2' HD22 ' A' ' 66' ' ' LEU . 67.2 m-85 -96.84 120.58 37.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 62.0 m -94.49 119.1 32.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -107.8 146.54 32.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.093 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.6 m -131.55 102.75 6.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.501 HG12 ' CE3' ' A' ' 28' ' ' TRP . 21.5 t -89.05 146.79 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.411 ' NH2' ' HB3' ' A' ' 84' ' ' LEU . 5.1 mtp180 -139.86 174.12 10.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.405 ' N ' ' OG1' ' A' ' 85' ' ' THR . . . -126.8 113.52 1.79 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.451 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.459 HD13 ' CD2' ' A' ' 84' ' ' LEU . 4.5 mm? -84.76 100.35 11.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.413 ' CG ' HG12 ' A' ' 35' ' ' VAL . 30.5 mmm-85 -118.25 94.66 4.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.14 -152.23 52.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.539 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 3.67 2.62 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.671 2.248 . . . . 0.0 112.382 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -120.84 175.89 5.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.459 ' CD2' HD13 ' A' ' 79' ' ' LEU . 6.1 mt -125.72 167.0 15.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.915 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.436 HG21 ' CB ' ' A' ' 9' ' ' ASP . 45.3 p -107.34 177.34 4.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.147 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 53.1 p -70.59 124.82 91.58 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.699 0.762 . . . . 0.0 110.812 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 151.8 68.75 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.746 2.297 . . . . 0.0 112.319 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -131.5 115.7 16.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.7 t -114.85 153.79 29.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.456 ' CG2' ' CD2' ' A' ' 14' ' ' LEU . 12.1 tt -158.58 150.09 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.5 m -101.85 126.87 48.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.538 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 29.0 p90 -145.99 124.29 12.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.1 m -74.07 145.33 44.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.62 23.02 4.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -148.01 90.42 0.14 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.448 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.447 ' O ' ' CD ' ' A' ' 97' ' ' GLU . 12.2 tp -124.35 38.94 4.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.349 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.447 ' CD ' ' O ' ' A' ' 96' ' ' LEU . 15.5 mp0 -160.18 113.59 2.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -172.26 143.57 1.31 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.528 0.68 . . . . 0.0 111.118 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 100' ' ' ARG . 53.5 Cg_endo -69.77 136.83 33.95 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.605 2.204 . . . . 0.0 112.365 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 99' ' ' PRO . 37.2 mtm-85 34.61 50.06 0.4 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -120.62 -44.5 2.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.6 mp -98.65 -50.35 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.954 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -69.03 -54.16 16.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.24 164.35 26.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -93.71 -33.06 13.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 55.32 43.65 28.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 35.0 m -114.44 125.02 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.158 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.405 ' CG2' ' O ' ' A' ' 108' ' ' THR . 10.2 t -124.89 87.0 55.72 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.596 0.712 . . . . 0.0 111.151 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 117.41 5.07 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.301 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 76.1 p -88.19 116.24 26.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -135.32 69.48 0.52 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -178.79 2.5 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.711 2.274 . . . . 0.0 112.298 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.2 t -150.04 158.65 44.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.3 t -160.42 168.18 25.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.445 -179.956 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -56.28 177.79 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.841 0.353 . . . . 0.0 110.798 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 m -127.93 123.96 36.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.81 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.78 -118.02 1.8 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.527 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.3 t 40.38 43.11 1.41 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.912 0.387 . . . . 0.0 110.931 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.3 t -123.31 108.57 12.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.897 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.63 84.16 0.22 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 163.21 39.09 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.71 2.274 . . . . 0.0 112.345 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -99.97 22.88 10.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -116.16 179.73 17.9 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.45 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 129.25 17.26 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.713 2.275 . . . . 0.0 112.322 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.7 p -134.19 168.97 17.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 67.01 28.93 8.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 tp -59.54 137.35 58.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -153.47 164.25 38.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -113.69 106.34 14.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.1 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.74 170.03 16.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -70.62 104.6 2.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.455 ' CD2' ' HA ' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -122.03 174.07 7.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.573 HG21 ' CD2' ' A' ' 23' ' ' PHE . 14.6 t -41.86 153.49 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -85.58 43.02 1.0 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -148.35 -71.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.573 ' CD2' HG21 ' A' ' 20' ' ' THR . 1.3 p90 -99.43 127.08 45.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.923 0.392 . . . . 0.0 110.85 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.554 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . . . -99.98 162.91 12.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.412 ' CB ' ' HA ' ' A' ' 62' ' ' PRO . 1.5 m -135.14 165.07 31.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.079 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.2 mt -109.32 122.19 46.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -108.98 118.76 37.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.828 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.456 ' CD1' ' C ' ' A' ' 28' ' ' TRP . 1.7 p90 -129.57 154.17 47.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -97.12 129.37 32.4 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.648 0.737 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.62 122.43 9.15 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.367 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 32' ' ' GLN . 54.1 Cg_endo -69.67 160.65 48.91 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.696 2.264 . . . . 0.0 112.349 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 31' ' ' PRO . 51.1 tp60 -34.09 -54.87 0.5 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.544 ' ND2' ' CZ ' ' A' ' 80' ' ' ARG . 2.0 t30 -96.67 122.28 57.49 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.599 0.714 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 143.99 52.33 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.713 2.275 . . . . 0.0 112.261 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.562 HG23 ' CE1' ' A' ' 38' ' ' TYR . 28.9 m -92.11 -174.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -101.37 -53.72 2.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.0 137.65 31.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.232 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.562 ' CE1' HG23 ' A' ' 35' ' ' VAL . 79.8 m-85 -95.53 129.44 42.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.872 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -97.01 105.72 17.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.2 mp -107.46 142.16 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.67 125.73 27.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.8 t -113.06 126.9 70.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.166 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.1 p -147.1 165.32 30.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.185 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.554 ' HB3' ' CD1' ' A' ' 72' ' ' TYR . . . -171.09 157.43 4.93 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.593 0.711 . . . . 0.0 111.077 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 102.09 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.607 2.204 . . . . 0.0 112.346 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.1 31.49 7.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.46 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.22 151.26 51.21 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.597 0.713 . . . . 0.0 111.091 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 144.66 54.73 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.659 2.239 . . . . 0.0 112.337 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.75 148.33 64.9 Favored 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 122.673 2.249 . . . . 0.0 112.427 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 51' ' ' GLN . 5.3 tp -135.33 132.5 37.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.844 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.404 ' N ' HD12 ' A' ' 50' ' ' LEU . 15.6 tp60 -127.05 133.55 50.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.535 ' HB3' ' CE2' ' A' ' 61' ' ' TYR . . . -150.49 162.02 41.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -139.96 159.41 42.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -149.6 146.17 20.33 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.583 0.706 . . . . 0.0 111.154 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 148.33 65.27 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.712 2.274 . . . . 0.0 112.372 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.56 -13.81 3.16 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.534 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.1 t -77.66 8.56 4.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.836 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.73 143.8 49.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.124 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.0 m -123.79 23.63 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -170.55 131.84 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.535 ' CE2' ' HB3' ' A' ' 52' ' ' ALA . 15.5 t80 -128.43 96.39 30.71 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.662 0.744 . . . . 0.0 110.957 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.412 ' HA ' ' CB ' ' A' ' 25' ' ' VAL . 53.4 Cg_endo -69.81 128.15 15.57 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.697 2.265 . . . . 0.0 112.271 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 mt -102.33 136.16 42.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -122.19 173.54 7.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.812 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.4 t70 65.18 50.26 1.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.1 mt -114.18 141.04 48.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 81.7 t -81.82 130.51 35.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.46 177.49 3.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 45.56 35.42 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.2 m -141.84 146.46 35.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -92.22 105.32 17.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.554 ' CD1' ' HB3' ' A' ' 44' ' ' ALA . 13.1 m-85 -97.3 129.88 44.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.8 m -105.05 127.29 52.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.161 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.459 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -115.51 152.06 33.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.028 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.3 m -140.1 110.8 6.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 49.6 t -99.16 141.89 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.154 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 44.7 mtm-85 -139.58 159.25 42.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -111.41 120.3 5.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.503 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -88.18 101.02 13.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.844 0.354 . . . . 0.0 110.956 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.544 ' CZ ' ' ND2' ' A' ' 33' ' ' ASN . 31.7 mtp180 -118.63 97.0 5.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 59.31 -150.71 36.87 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.411 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.64 3.64 2.6 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.735 2.29 . . . . 0.0 112.353 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -118.94 174.99 5.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.8 mt -128.64 165.27 21.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.949 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 36.2 p -104.75 177.94 4.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 91.3 p -70.75 127.42 91.87 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.667 0.746 . . . . 0.0 110.851 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 145.6 57.62 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.336 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -135.06 115.47 13.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 74' ' ' ALA . 7.5 t -119.61 168.89 10.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.4 HG12 ' N ' ' A' ' 91' ' ' THR . 13.7 tt -157.41 155.92 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.141 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.4 ' N ' HG12 ' A' ' 90' ' ' ILE . 3.7 m -110.44 110.04 20.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.554 ' CE2' ' HB2' ' A' ' 24' ' ' ALA . 39.4 p90 -131.66 129.62 41.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.3 m -88.0 142.01 28.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.081 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.9 p -100.79 117.6 35.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 123.23 -69.04 0.46 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.483 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 97' ' ' GLU . 3.9 pp -76.25 5.17 7.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.751 0.31 . . . . 0.0 110.834 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 96' ' ' LEU . 58.6 mt-10 -37.06 -44.33 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -37.35 145.89 0.27 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.609 0.718 . . . . 0.0 111.065 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -163.91 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.331 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 42.5 mtt85 -75.61 57.65 0.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.7 p-10 -132.2 8.53 4.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 45.7 mt -87.27 117.41 26.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 44.22 51.65 7.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -109.37 154.02 23.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 39.6 mmtt -120.83 121.51 38.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.95 157.78 16.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 97.0 t -118.5 101.81 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.8 t -72.47 141.7 83.26 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.617 0.722 . . . . 0.0 111.128 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 161.57 45.44 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.669 2.246 . . . . 0.0 112.295 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.5 t -135.77 175.77 9.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -174.03 145.77 8.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.456 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 159.2 54.28 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.718 2.279 . . . . 0.0 112.304 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.8 t -146.78 133.01 19.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.814 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.9 m -167.78 167.85 12.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.894 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.413 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -100.41 152.75 19.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 0.0 110.836 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -57.57 110.27 0.85 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.819 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.58 150.44 17.37 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t 72.05 44.02 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.928 0.394 . . . . 0.0 110.905 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.3 p -121.45 118.68 29.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.836 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.9 84.52 0.31 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.424 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -166.99 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.712 2.275 . . . . 0.0 112.371 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -92.69 -26.11 17.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.415 ' N ' ' HB ' ' A' ' 85' ' ' THR . . . -107.08 -179.31 22.6 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.462 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 135.3 30.08 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.0 p -135.73 -179.99 5.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.179 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 48.6 41.47 17.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.432 ' CD1' ' HB3' ' A' ' 28' ' ' TRP . 7.4 tp -58.93 132.16 53.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.416 ' HB3' ' NH1' ' A' ' 15' ' ' ARG . 1.1 ptp180 -121.33 166.72 13.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -127.93 106.2 8.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.494 ' CD2' ' N ' ' A' ' 18' ' ' ASN . 5.7 tt -76.91 165.44 24.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.494 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 2.1 m120 -71.12 114.13 8.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.404 ' CD1' ' HA ' ' A' ' 24' ' ' ALA . 0.7 OUTLIER -73.62 136.06 43.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.5 t -131.66 138.52 48.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.225 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 68.32 29.08 6.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.21 53.99 35.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.574 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.536 ' CZ ' ' HB2' ' A' ' 62' ' ' PRO . 1.7 t80 -134.92 107.96 7.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.85 0.357 . . . . 0.0 110.825 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.404 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . . . -100.12 127.77 46.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.096 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 m -134.47 156.71 40.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.128 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.1 mt -105.55 142.49 35.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -123.79 119.72 30.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.432 ' HB3' ' CD1' ' A' ' 14' ' ' LEU . 1.9 p90 -129.25 153.95 47.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -91.2 120.53 68.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.535 0.684 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.84 119.92 6.78 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.62 2.213 . . . . 0.0 112.384 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 32' ' ' GLN . 54.6 Cg_endo -69.69 154.89 67.47 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.687 2.258 . . . . 0.0 112.325 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 31' ' ' PRO . 55.3 tt0 -35.04 -40.92 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.51 ' ND2' HH11 ' A' ' 80' ' ' ARG . 1.0 OUTLIER -106.74 103.68 47.96 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.57 0.7 . . . . 0.0 110.882 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 33' ' ' ASN . 54.7 Cg_endo -69.71 121.19 7.89 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.732 2.288 . . . . 0.0 112.366 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.514 HG21 ' CE1' ' A' ' 38' ' ' TYR . 23.5 m -61.42 -175.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.128 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -96.11 -48.09 5.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.412 ' HB ' ' CD ' ' A' ' 53' ' ' GLU . 4.0 p -141.2 136.74 32.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.514 ' CE1' HG21 ' A' ' 35' ' ' VAL . 64.3 m-85 -97.68 126.85 43.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -98.37 106.21 18.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.407 HD12 ' N ' ' A' ' 40' ' ' ILE . 5.3 mp -106.6 139.37 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.115 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -131.08 120.51 23.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.2 t -108.84 133.24 54.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 76.1 p -145.11 166.94 23.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.173 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -161.01 162.67 22.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.534 0.683 . . . . 0.0 111.184 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 86.66 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.717 2.278 . . . . 0.0 112.27 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 112.85 -33.62 5.52 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.537 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.62 152.38 93.65 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.599 0.714 . . . . 0.0 111.106 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 150.18 67.88 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.618 2.212 . . . . 0.0 112.312 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 145.99 58.6 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.347 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.3 tp -128.65 132.12 48.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -123.78 123.36 40.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.519 ' HB1' ' CZ ' ' A' ' 61' ' ' TYR . . . -135.87 168.87 18.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.421 ' OE2' ' N ' ' A' ' 54' ' ' THR . 1.2 tm-20 -150.06 153.37 36.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.421 ' N ' ' OE2' ' A' ' 53' ' ' GLU . 0.7 OUTLIER -150.41 146.22 19.58 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.635 0.731 . . . . 0.0 111.097 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 147.77 63.42 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.643 2.229 . . . . 0.0 112.302 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -52.44 -15.93 3.2 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.449 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.4 p -72.79 0.9 9.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.915 0.388 . . . . 0.0 110.837 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -115.37 146.12 41.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.065 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.8 m -121.82 20.21 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.065 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -170.15 142.05 2.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.519 ' CZ ' ' HB1' ' A' ' 52' ' ' ALA . 29.3 t80 -133.57 99.49 14.24 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.63 0.729 . . . . 0.0 110.949 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.536 ' HB2' ' CZ ' ' A' ' 23' ' ' PHE . 53.8 Cg_endo -69.73 107.93 1.96 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.0 mt -81.66 131.43 35.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.491 ' CD2' ' CE1' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -116.25 170.65 8.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.869 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.9 t70 68.05 52.81 0.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.803 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 75.6 mt -116.62 128.41 55.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 72.7 t -65.41 130.76 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.64 174.69 5.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 13.0 m170 44.52 32.92 0.81 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 78.6 m -145.39 142.81 29.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.078 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -85.46 127.3 34.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -114.59 125.79 54.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.9 m -96.71 126.35 41.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.162 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -115.54 145.99 42.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.9 m -133.7 106.02 7.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 77' ' ' ARG . 15.8 t -93.26 144.8 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.159 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.427 ' N ' HG13 ' A' ' 76' ' ' VAL . 33.3 mtm-85 -140.27 172.5 12.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -125.26 129.79 7.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -98.08 101.73 13.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.361 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.51 HH11 ' ND2' ' A' ' 33' ' ' ASN . 23.4 mtp180 -121.43 95.1 4.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 63.33 -152.11 47.63 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 3.45 2.81 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.27 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -121.27 173.92 7.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.8 mt -128.57 161.57 29.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.415 ' HB ' ' N ' ' A' ' 10' ' ' GLY . 27.8 p -99.6 177.83 5.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.202 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 73.9 m -70.09 129.83 90.34 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.612 0.72 . . . . 0.0 110.802 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 159.58 52.87 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.692 2.261 . . . . 0.0 112.327 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -147.12 115.44 6.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.136 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 74' ' ' ALA . 4.1 t -122.47 166.22 15.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 20.6 tt -158.36 159.89 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.5 m -107.0 123.06 47.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.112 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 92' ' ' PHE . 8.7 p90 -142.6 149.13 38.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.3 m -97.78 147.04 24.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.177 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.2 p -98.79 168.9 9.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 39.94 41.66 2.01 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.536 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 16.2 tp -78.96 61.82 3.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.747 0.308 . . . . 0.0 110.852 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -138.2 134.96 35.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -159.24 143.69 11.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.554 0.692 . . . . 0.0 111.15 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 -7.69 21.72 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.703 2.269 . . . . 0.0 112.236 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 51.5 mtp180 -124.91 144.01 50.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.4 106.24 0.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.8 mt -46.24 -39.46 9.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -80.98 173.83 12.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.828 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -114.82 138.45 50.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.085 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -84.05 124.03 30.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -59.67 110.97 1.26 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.944 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.7 m -74.95 118.43 20.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.115 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 32.6 p -96.74 143.49 26.21 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.535 0.684 . . . . 0.0 111.127 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 144.28 53.79 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 17.7 m -125.24 105.33 9.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -54.53 144.18 30.19 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.509 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 156.75 62.54 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.691 2.26 . . . . 0.0 112.327 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.7 t -130.61 151.87 50.61 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.802 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.8 t -159.6 174.28 14.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.837 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.544 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.3 p 39.96 40.23 0.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.875 0.369 . . . . 0.0 110.779 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.4 m -148.18 130.92 16.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.71 -155.25 6.71 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.515 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t -55.82 -176.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.882 0.372 . . . . 0.0 110.882 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.3 p -100.89 63.9 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.4 74.17 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.509 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -165.15 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.637 2.225 . . . . 0.0 112.375 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.412 ' C ' HG23 ' A' ' 85' ' ' THR . 1.8 m-20 -102.52 -15.07 16.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.9 -179.62 17.27 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.541 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 138.3 37.62 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.256 . . . . 0.0 112.334 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.8 p -141.98 177.46 8.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 52.6 45.22 29.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.448 ' CD1' ' HB3' ' A' ' 28' ' ' TRP . 5.3 tp -67.24 131.03 44.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -128.25 157.14 41.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -102.38 105.76 16.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -80.82 171.07 15.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -72.15 130.36 40.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.5 ' N ' ' CD1' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -63.99 160.29 18.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.951 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.7 t -131.52 117.28 18.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 49.66 48.43 21.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.23 34.48 89.66 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.524 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.422 ' CZ ' ' HB2' ' A' ' 62' ' ' PRO . 3.2 t80 -124.76 108.09 11.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.362 . . . . 0.0 110.924 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.91 126.88 44.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.061 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -130.03 157.16 42.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.5 mt -92.08 154.37 18.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -136.04 118.91 16.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.448 ' HB3' ' CD1' ' A' ' 14' ' ' LEU . 1.9 p90 -129.26 153.89 47.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -92.97 123.96 59.71 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.533 0.682 . . . . 0.0 110.971 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 127.98 15.39 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.87 173.84 10.49 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.712 2.275 . . . . 0.0 112.302 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -50.42 -42.25 53.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -108.69 127.58 27.14 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.632 0.73 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 131.09 20.49 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.758 2.305 . . . . 0.0 112.358 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.565 ' CG2' ' CE1' ' A' ' 38' ' ' TYR . 8.2 m -78.88 -178.07 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -91.17 -60.07 1.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.2 p -140.5 143.14 35.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.565 ' CE1' ' CG2' ' A' ' 35' ' ' VAL . 79.6 m-85 -99.16 127.28 45.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -95.49 105.14 17.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.41 ' CD1' ' CB ' ' A' ' 61' ' ' TYR . 17.2 mt -106.82 122.41 60.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.05 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.456 ' NE2' ' HB ' ' A' ' 75' ' ' THR . 0.2 OUTLIER -112.63 120.64 42.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -113.54 116.52 52.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.036 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.4 p -142.46 171.36 14.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.186 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -172.06 159.44 4.41 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.599 0.714 . . . . 0.0 111.11 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 102.95 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.63 -25.64 23.74 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.408 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -91.64 151.87 42.81 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.607 0.718 . . . . 0.0 111.062 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 146.76 60.68 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.701 2.268 . . . . 0.0 112.335 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 146.72 61.16 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.775 2.317 . . . . 0.0 112.31 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.9 tp -135.18 128.6 32.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -123.11 128.59 50.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.413 ' HB3' ' CE2' ' A' ' 61' ' ' TYR . . . -139.52 168.88 18.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -150.14 153.63 36.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.75 151.19 32.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.598 0.713 . . . . 0.0 111.194 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 148.09 64.61 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.638 2.225 . . . . 0.0 112.365 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.535 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -49.78 -33.01 18.79 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 91.0 p -52.29 -16.96 0.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.839 0.352 . . . . 0.0 110.841 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -92.79 154.66 18.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.064 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.3 m -125.16 9.78 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.048 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -171.06 155.42 4.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.413 ' CE2' ' HB3' ' A' ' 52' ' ' ALA . 29.0 t80 -139.86 114.37 7.83 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.692 0.758 . . . . 0.0 110.881 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 23' ' ' PHE . 53.3 Cg_endo -69.77 150.3 67.99 Favored 'Trans proline' 0 N--CA 1.465 -0.192 0 C-N-CA 122.714 2.276 . . . . 0.0 112.367 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.8 mt -131.52 133.28 44.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -129.17 175.54 8.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 t70 72.47 30.44 1.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.514 HD21 ' CD2' ' A' ' 72' ' ' TYR . 5.9 mp -100.8 141.35 33.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.0 t -75.4 120.41 25.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.404 ' N ' ' CD2' ' A' ' 68' ' ' LEU . 0.5 OUTLIER -40.99 -74.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -73.16 68.35 0.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.5 m -166.14 129.17 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -83.42 117.19 22.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.514 ' CD2' HD21 ' A' ' 66' ' ' LEU . 61.7 m-85 -105.81 122.59 46.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.4 m -94.8 122.2 37.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.068 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -105.29 148.37 27.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.456 ' HB ' ' NE2' ' A' ' 41' ' ' GLN . 2.7 m -132.79 103.19 5.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.417 HG13 ' CE3' ' A' ' 28' ' ' TRP . 10.6 t -93.64 137.09 23.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.6 mtt180 -138.48 169.37 17.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.815 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -122.05 117.4 3.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.414 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -85.33 103.77 14.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.361 . . . . 0.0 110.828 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -122.07 97.27 5.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 59.97 -152.07 36.85 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.465 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 3.77 2.58 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.728 2.285 . . . . 0.0 112.304 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -118.32 175.94 5.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.3 mt -128.91 162.47 27.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.412 HG23 ' C ' ' A' ' 9' ' ' ASP . 31.4 p -103.37 173.88 6.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 91.9 p -67.46 121.06 77.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.56 0.695 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 150.89 69.23 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.713 2.276 . . . . 0.0 112.399 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.27 115.78 14.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.08 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 27.2 t -115.25 156.53 25.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.443 ' CG2' HD22 ' A' ' 14' ' ' LEU . 21.5 tt -152.01 153.44 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.8 m -107.85 112.34 24.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -131.23 129.45 41.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.5 m -85.06 143.91 28.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.107 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.4 p -98.73 23.72 8.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -147.67 49.86 0.6 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.415 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 98' ' ' ALA . 1.3 pt? -105.42 20.87 18.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.721 0.296 . . . . 0.0 110.879 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -42.64 91.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -172.77 167.71 2.91 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.61 0.719 . . . . 0.0 111.071 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.438 ' HD2' ' CB ' ' A' ' 98' ' ' ALA . 54.1 Cg_endo -69.72 178.74 4.24 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.656 2.237 . . . . 0.0 112.397 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -44.88 146.63 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.825 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 41.92 28.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.8 mp 39.18 45.8 1.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 104' ' ' ALA . 18.8 mt-10 -109.54 105.27 14.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.815 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . -35.64 -75.34 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.038 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.73 154.23 1.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 37.2 43.59 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.3 p -57.85 -41.78 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 69.9 p -126.24 81.86 66.5 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.544 0.688 . . . . 0.0 111.17 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 143.03 49.4 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.679 2.253 . . . . 0.0 112.376 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 111' ' ' GLY . 92.3 p -100.54 45.21 0.98 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 110' ' ' SER . . . 36.9 84.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 175.85 7.59 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.739 2.293 . . . . 0.0 112.339 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 71.0 p -147.53 172.11 14.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.2 t -111.92 133.52 54.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.436 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.1 t -74.31 105.24 5.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.896 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.6 m -63.1 159.51 17.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.94 51.29 0.6 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.443 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.4 p -53.82 120.55 6.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.914 0.388 . . . . 0.0 110.826 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m 62.76 41.26 9.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.886 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.74 147.37 12.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.448 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -166.22 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.645 2.23 . . . . 0.0 112.331 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.438 ' OD2' ' NH1' ' A' ' 80' ' ' ARG . 31.5 t70 -132.08 20.86 4.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.807 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -131.26 -165.36 11.43 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.513 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 128.57 16.23 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.754 2.303 . . . . 0.0 112.335 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.8 p -135.33 171.61 14.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 62.9 33.19 15.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 28' ' ' TRP . 7.5 tp -58.79 115.53 3.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.5 ttt85 -127.73 159.91 33.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -127.27 105.89 8.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.0 tp -78.79 167.81 20.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -70.69 88.7 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.444 ' CD1' ' HA ' ' A' ' 24' ' ' ALA . 0.5 OUTLIER -104.27 174.41 5.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.558 HG23 ' CD2' ' A' ' 23' ' ' PHE . 12.0 t -33.88 146.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.68 30.01 1.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -126.08 -45.48 0.23 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.558 ' CD2' HG23 ' A' ' 20' ' ' THR . 4.9 p90 -133.0 120.98 22.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.902 0.382 . . . . 0.0 110.871 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.567 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -93.69 157.02 16.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.184 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.41 ' CG1' ' HA ' ' A' ' 62' ' ' PRO . 1.3 m -135.33 164.11 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.414 HD12 ' CG2' ' A' ' 76' ' ' VAL . 41.1 mt -103.38 129.08 50.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -113.77 118.73 35.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.613 ' CZ2' ' CD2' ' A' ' 38' ' ' TYR . 1.6 p90 -129.46 154.22 47.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.5 mttm -95.44 126.77 44.53 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.637 0.732 . . . . 0.0 110.838 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.74 124.23 10.89 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.693 2.262 . . . . 0.0 112.304 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.457 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.6 Cg_endo -69.81 167.15 25.33 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.64 2.227 . . . . 0.0 112.304 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 31' ' ' PRO . 37.2 tp60 -34.09 -45.61 0.21 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.54 122.55 30.74 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.644 0.735 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 115.29 4.02 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.671 2.247 . . . . 0.0 112.289 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.548 ' CG2' ' CE1' ' A' ' 38' ' ' TYR . 18.8 m -56.49 178.05 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.73 -56.83 3.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 p -141.23 151.99 44.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.083 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.613 ' CD2' ' CZ2' ' A' ' 28' ' ' TRP . 66.6 m-85 -107.38 131.5 54.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -96.95 108.85 21.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mp -105.88 132.89 51.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.184 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -129.91 117.41 20.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.9 t -110.02 132.32 58.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 46.0 p -145.36 171.91 13.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.533 ' HB3' ' CE1' ' A' ' 72' ' ' TYR . . . -169.35 156.3 6.5 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.564 0.697 . . . . 0.0 111.086 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 84.4 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.713 2.275 . . . . 0.0 112.342 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 119.12 -26.33 7.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.525 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.12 152.51 65.28 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.538 0.685 . . . . 0.0 111.115 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 148.23 64.16 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.666 2.244 . . . . 0.0 112.266 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 146.04 58.84 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.6 tp -132.81 131.18 40.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -125.86 142.36 51.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -161.35 167.68 25.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -144.32 154.48 43.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.48 146.76 25.86 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.548 0.69 . . . . 0.0 111.196 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 147.41 62.08 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.64 2.226 . . . . 0.0 112.315 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 58' ' ' ALA . . . -47.19 -42.26 16.79 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.446 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.4 m -42.54 -24.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 0.0 110.779 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 56' ' ' GLY . . . -90.32 148.22 23.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.4 m -125.09 17.91 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.151 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -169.49 148.14 3.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -134.64 103.18 11.2 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.712 0.768 . . . . 0.0 110.893 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.41 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 53.1 Cg_endo -69.79 117.43 5.08 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.339 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.9 mt -93.63 127.67 39.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -118.16 170.96 8.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.846 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.4 t70 66.36 48.52 1.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.8 mt -115.97 146.27 42.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 88.8 t -77.71 119.69 26.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.1 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.467 ' N ' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -63.22 161.03 14.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.968 179.901 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 9.5 m170 54.96 40.63 32.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 74.7 m -140.94 143.52 34.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 62.0 t-20 -86.25 108.45 18.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.95 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.533 ' CE1' ' HB3' ' A' ' 44' ' ' ALA . 33.4 m-85 -107.83 132.89 52.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.041 0.448 . . . . 0.0 110.898 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 33.0 m -106.67 120.59 42.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -112.0 150.66 30.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.126 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.7 m -134.91 119.71 18.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.18 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.43 HG12 ' CZ3' ' A' ' 28' ' ' TRP . 39.8 t -109.69 135.51 48.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.9 mtt180 -130.4 159.96 35.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -108.24 126.19 8.15 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.413 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.43 HD13 ' CD2' ' A' ' 84' ' ' LEU . 4.3 mm? -92.82 99.91 12.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.462 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 43.7 mmm-85 -116.63 95.0 4.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.32 -151.35 50.29 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.524 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 3.62 2.65 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.7 2.267 . . . . 0.0 112.302 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -122.39 176.07 6.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.43 ' CD2' HD13 ' A' ' 79' ' ' LEU . 6.1 mt -128.07 164.03 23.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 42.9 p -102.08 178.04 4.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.5 p -67.01 130.33 93.9 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.642 0.734 . . . . 0.0 110.939 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 146.44 60.46 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.634 2.223 . . . . 0.0 112.368 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.25 115.53 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.7 t -117.94 158.83 24.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.78 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.456 ' CG2' HD22 ' A' ' 14' ' ' LEU . 14.6 tt -145.45 157.11 13.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.139 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.438 ' N ' HG12 ' A' ' 90' ' ' ILE . 9.2 m -112.08 110.4 20.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.108 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CE2' ' HB1' ' A' ' 24' ' ' ALA . 4.0 p90 -126.48 143.65 51.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.4 m -101.5 123.51 45.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.187 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 69.9 p -84.39 131.38 34.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.179 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.46 -48.11 3.33 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 14.4 tp -83.52 41.55 0.79 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.753 0.311 . . . . 0.0 110.905 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -149.14 119.12 7.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.824 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -154.57 142.56 14.17 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.554 0.693 . . . . 0.0 111.079 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -9.9 27.24 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.668 2.245 . . . . 0.0 112.312 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -123.0 177.01 5.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -62.46 130.27 44.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.3 mt -63.53 -54.43 36.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.83 96.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -97.09 110.92 23.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.124 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -74.07 141.93 45.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -152.4 105.74 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 29.4 m -113.72 137.87 45.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.193 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 38.1 p -105.69 142.52 24.95 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.605 0.717 . . . . 0.0 111.137 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -175.06 1.04 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.661 2.241 . . . . 0.0 112.33 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.6 t -158.39 136.82 10.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -46.52 148.87 2.33 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.418 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -179.87 3.22 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.368 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.4 t -105.72 179.49 4.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 115' ' ' GLY . 91.5 p -100.05 174.85 5.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.83 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 114' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.262 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.467 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -132.94 140.15 47.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.902 0.382 . . . . 0.0 110.874 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.9 p -102.73 171.95 7.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.15 55.17 5.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.468 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 t -107.99 43.16 1.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.899 0.381 . . . . 0.0 110.842 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -99.07 -53.47 3.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.21 161.13 0.2 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.466 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -169.31 0.32 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.66 2.24 . . . . 0.0 112.36 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -119.32 8.66 11.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -109.77 -156.65 16.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.455 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 127.25 14.34 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.619 2.213 . . . . 0.0 112.387 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -133.82 162.1 32.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 67.81 35.06 4.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.416 ' CD1' ' HB3' ' A' ' 28' ' ' TRP . 6.3 tp -59.16 123.37 16.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.2 ttm-85 -131.21 159.53 37.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -101.8 105.24 16.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.422 ' O ' ' CD1' ' A' ' 19' ' ' LEU . 11.3 tp -78.29 168.49 19.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -85.66 85.43 7.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.486 ' CD2' ' C ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -101.96 172.46 6.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.962 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 22' ' ' GLY . 9.4 m -39.13 121.65 1.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -42.27 -23.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 20' ' ' THR . . . -100.01 -50.69 1.33 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.444 ' CE1' ' HB2' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -82.36 108.55 15.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.915 0.388 . . . . 0.0 110.843 -179.82 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.24 137.7 36.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.09 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -133.87 163.65 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.41 HD22 ' CB ' ' A' ' 74' ' ' ALA . 13.0 mt -105.42 147.44 28.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -127.71 118.78 24.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.421 ' CD1' ' C ' ' A' ' 28' ' ' TRP . 1.7 p90 -129.28 152.83 48.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -94.37 123.03 59.86 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.57 0.7 . . . . 0.0 110.903 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 121.44 8.11 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.635 2.223 . . . . 0.0 112.311 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.0 Cg_endo -69.8 162.27 42.73 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 31' ' ' PRO . 35.2 tt0 -34.61 -54.86 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -96.24 120.58 62.33 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.667 0.746 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 114.09 3.59 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.676 2.251 . . . . 0.0 112.311 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.503 ' CG2' ' CE1' ' A' ' 38' ' ' TYR . 16.2 m -57.45 179.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -90.78 -55.3 3.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.887 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.87 154.81 46.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.104 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.503 ' CE1' ' CG2' ' A' ' 35' ' ' VAL . 65.5 m-85 -111.5 126.96 55.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -95.12 103.56 15.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mp -102.75 136.79 33.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.086 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -137.8 120.71 16.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.0 t -106.7 132.88 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.141 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 65.5 p -147.13 165.4 30.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.523 ' HB1' ' CE1' ' A' ' 72' ' ' TYR . . . -168.71 156.99 7.58 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.562 0.696 . . . . 0.0 111.15 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 101.45 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.697 2.265 . . . . 0.0 112.358 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.6 19.32 35.23 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.418 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -127.22 153.58 76.89 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.568 0.699 . . . . 0.0 111.116 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.87 142.75 48.27 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.599 2.199 . . . . 0.0 112.289 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 146.34 59.56 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.7 tp -135.14 129.29 33.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.6 tm0? -126.69 148.95 49.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.94 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.508 ' HB1' ' CZ ' ' A' ' 61' ' ' TYR . . . -168.42 157.61 9.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -132.48 154.25 50.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.43 146.3 24.51 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.675 0.75 . . . . 0.0 111.123 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 143.91 52.33 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.671 2.247 . . . . 0.0 112.301 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.498 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -44.09 -44.35 7.45 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.452 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.3 m -37.88 -33.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.907 0.384 . . . . 0.0 110.86 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.67 146.43 29.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.0 m -119.72 16.99 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -170.18 147.62 3.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.508 ' CZ ' ' HB1' ' A' ' 52' ' ' ALA . 38.3 t80 -133.68 99.94 13.83 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.685 0.755 . . . . 0.0 110.909 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.444 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 54.2 Cg_endo -69.7 127.52 14.76 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.703 2.268 . . . . 0.0 112.363 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.6 mt -107.33 136.07 47.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.966 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -117.54 179.47 4.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.5 t0 58.43 49.5 10.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.1 mt -113.27 120.52 41.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.017 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.2 t -56.41 135.44 19.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.154 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.69 163.18 24.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 54.21 40.7 31.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.826 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.2 m -146.3 138.73 25.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.54 121.1 23.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.523 ' CE1' ' HB1' ' A' ' 44' ' ' ALA . 10.7 m-85 -118.3 126.17 51.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.4 m -100.46 119.03 37.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.186 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.41 ' CB ' HD22 ' A' ' 26' ' ' LEU . . . -106.18 139.76 40.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.045 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 33.2 m -125.9 115.79 20.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 46.2 t -108.78 122.27 63.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.406 ' NE ' ' HB3' ' A' ' 87' ' ' PRO . 14.3 mtt85 -118.91 158.05 26.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -115.58 127.61 7.67 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.573 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.477 ' CD2' ' N ' ' A' ' 79' ' ' LEU . 0.6 OUTLIER -91.38 107.75 19.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.823 0.344 . . . . 0.0 110.874 -179.834 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.46 ' CG ' HG13 ' A' ' 35' ' ' VAL . 30.5 mmm-85 -121.98 96.12 4.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 58.15 -150.86 32.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.512 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 3.68 2.63 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.685 2.257 . . . . 0.0 112.397 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -120.07 169.2 10.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 12.8 mt -128.45 155.49 44.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.4 p -97.99 174.01 6.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.9 m -66.87 132.68 93.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 0.0 110.89 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.406 ' HB3' ' NE ' ' A' ' 77' ' ' ARG . 53.7 Cg_endo -69.74 136.97 34.42 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.732 2.288 . . . . 0.0 112.359 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -102.84 114.53 28.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.081 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.4 p -116.57 153.31 32.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.792 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.436 HG12 ' N ' ' A' ' 91' ' ' THR . 15.8 tt -162.13 160.67 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.111 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.436 ' N ' HG12 ' A' ' 90' ' ' ILE . 6.5 m -119.26 113.44 20.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -132.07 135.61 46.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.1 m -83.68 133.54 34.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.092 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.93 -55.55 5.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -107.31 53.85 0.59 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.445 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.512 ' CD2' ' C ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -58.87 -12.76 4.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.79 0.328 . . . . 0.0 110.909 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -49.38 127.96 16.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -169.26 148.73 3.64 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.535 0.683 . . . . 0.0 111.162 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 1.49 4.45 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.67 2.247 . . . . 0.0 112.321 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.415 ' HB3' ' NH1' ' A' ' 100' ' ' ARG . 0.3 OUTLIER -120.62 167.59 12.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.942 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.12 127.07 32.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.87 -63.97 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -111.97 -40.89 4.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.03 170.32 1.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -162.71 174.14 12.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -110.19 116.62 31.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 57.9 t -145.83 131.16 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.09 142.77 29.75 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.626 0.727 . . . . 0.0 111.142 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -179.17 2.75 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.639 2.226 . . . . 0.0 112.394 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.3 m -150.52 131.87 14.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -103.52 145.44 16.19 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.551 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 -172.94 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.728 2.285 . . . . 0.0 112.333 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 59.9 p -151.09 176.07 11.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 57.7 p -68.48 173.7 4.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.792 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.502 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.367 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -154.42 146.4 23.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.94 0.4 . . . . 0.0 110.786 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.1 m -92.99 96.55 10.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.87 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.22 -72.89 0.11 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t 65.46 50.08 1.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.912 0.387 . . . . 0.0 110.836 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -61.66 -51.39 68.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.829 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.48 156.28 26.87 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.527 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -166.16 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.668 2.245 . . . . 0.0 112.349 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 80' ' ' ARG . 28.2 m-20 -102.02 -6.97 22.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.61 -162.79 26.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.452 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 132.64 23.8 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.706 2.271 . . . . 0.0 112.35 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.6 p -131.78 177.82 7.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.108 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 52.8 33.14 13.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.422 ' CD1' ' HB3' ' A' ' 28' ' ' TRP . 5.0 tp -60.86 121.75 13.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 19.5 ttm105 -133.43 166.57 22.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.401 ' N ' ' HG2' ' A' ' 15' ' ' ARG . . . -125.16 114.46 19.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.47 ' O ' ' CD1' ' A' ' 19' ' ' LEU . 12.6 mt -87.23 170.38 11.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -84.0 86.09 7.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.47 ' CD1' ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -95.61 174.08 7.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.539 HG22 ' CD2' ' A' ' 23' ' ' PHE . 8.0 t -33.49 144.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -82.01 39.94 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -138.68 -40.82 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.474 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.539 ' CD2' HG22 ' A' ' 20' ' ' THR . 9.0 p90 -138.78 125.83 21.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.921 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.402 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -96.75 145.7 25.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.027 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -121.03 156.84 24.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.0 mt -95.06 143.99 26.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -128.23 118.86 24.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.516 ' CZ2' ' CD2' ' A' ' 38' ' ' TYR . 1.8 p90 -129.22 153.36 47.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.951 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -94.19 127.61 44.05 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.568 0.699 . . . . 0.0 110.959 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 115.54 4.15 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.23 . . . . 0.0 112.292 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.9 Cg_endo -69.79 149.32 66.51 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.624 2.216 . . . . 0.0 112.343 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 31' ' ' PRO . 19.0 tt0 -34.24 -46.57 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.92 109.93 28.59 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.671 0.748 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.64 122.68 9.39 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.725 2.283 . . . . 0.0 112.344 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.555 HG23 ' CE1' ' A' ' 38' ' ' TYR . 30.3 m -80.46 -176.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -97.7 -56.84 2.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.0 p -141.87 144.93 34.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.555 ' CE1' HG23 ' A' ' 35' ' ' VAL . 70.2 m-85 -101.37 129.82 47.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.96 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -95.58 115.03 26.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.8 mt -116.02 123.17 70.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -124.36 110.4 14.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.946 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.414 HG21 ' CD1' ' A' ' 63' ' ' LEU . 30.3 t -92.77 126.47 45.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.177 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.3 p -141.1 166.38 24.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.197 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.491 ' HB3' ' CE1' ' A' ' 72' ' ' TYR . . . -164.51 151.78 10.1 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.543 0.687 . . . . 0.0 111.094 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.61 81.26 0.79 Allowed 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.705 2.27 . . . . 0.0 112.402 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 123.52 7.34 6.92 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.496 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -127.2 152.06 75.41 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.529 0.681 . . . . 0.0 111.109 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 149.28 67.02 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.704 2.269 . . . . 0.0 112.304 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 150.47 68.25 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.731 2.287 . . . . 0.0 112.386 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.7 tp -132.97 129.0 37.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -95.31 151.75 18.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -167.49 133.97 2.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.172 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -139.54 151.56 46.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -153.7 148.38 19.55 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.56 0.695 . . . . 0.0 111.15 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 147.65 63.47 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.728 2.285 . . . . 0.0 112.295 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.541 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -43.32 -43.7 6.02 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.524 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.5 t -39.53 -34.68 0.24 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.847 0.356 . . . . 0.0 110.822 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.98 153.22 26.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.058 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.1 m -125.14 12.98 4.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -170.7 154.99 4.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -138.45 104.94 7.73 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.611 0.72 . . . . 0.0 110.992 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 115.69 4.2 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.646 2.231 . . . . 0.0 112.428 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.414 ' CD1' HG21 ' A' ' 42' ' ' VAL . 8.4 mt -96.7 130.36 43.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.936 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -115.61 177.99 4.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 59.08 46.91 12.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 97.6 mt -110.71 128.71 55.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.1 t -59.04 132.18 23.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.068 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.484 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -71.89 175.84 5.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 68' ' ' LEU . 38.3 m-70 36.49 51.84 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.3 m -153.23 125.99 8.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.25 104.73 6.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.491 ' CE1' ' HB3' ' A' ' 44' ' ' ALA . 13.3 m-85 -97.59 125.84 42.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.3 m -94.48 119.77 33.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.168 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -109.76 148.31 31.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.07 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.9 m -131.65 111.8 12.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.217 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 42.2 t -101.98 121.91 53.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -114.29 178.61 4.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -128.73 123.65 4.36 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.516 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -92.72 98.86 11.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.435 ' CZ ' ' HB3' ' A' ' 9' ' ' ASP . 28.1 mtm180 -121.23 96.12 4.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 63.45 -152.23 47.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 3.5 2.76 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.748 2.299 . . . . 0.0 112.305 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -122.9 174.51 7.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.7 mt -128.66 156.55 43.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.2 p -92.26 177.27 6.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.176 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 61.4 m -69.02 129.33 92.27 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.627 0.727 . . . . 0.0 110.836 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 147.0 62.29 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.639 2.226 . . . . 0.0 112.385 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.94 115.53 13.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.1 t -116.62 167.94 10.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.447 HG12 ' N ' ' A' ' 91' ' ' THR . 15.6 tt -159.01 158.36 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.193 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.447 ' N ' HG12 ' A' ' 90' ' ' ILE . 2.7 m -111.89 110.89 21.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.402 ' CE2' ' HB1' ' A' ' 24' ' ' ALA . 31.1 p90 -130.19 138.67 50.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 43.6 m -89.75 132.54 35.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.217 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 p -68.56 -48.25 64.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.124 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -110.1 88.84 0.53 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.5 tp -91.73 42.34 1.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.746 0.308 . . . . 0.0 110.944 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -134.71 103.07 5.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -169.02 162.9 7.76 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.606 0.717 . . . . 0.0 111.099 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 2.4 3.53 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.726 2.284 . . . . 0.0 112.331 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -79.09 47.61 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.8 t70 53.96 50.3 17.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -89.42 90.77 8.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -72.97 173.79 8.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -172.05 120.47 0.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.059 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.73 136.17 2.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -79.24 166.03 22.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 28.5 m -106.95 159.33 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 12.4 t -71.54 141.09 84.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 111.129 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -177.63 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.725 2.284 . . . . 0.0 112.323 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 66.1 p -61.53 165.52 4.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -112.1 -157.42 13.7 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.493 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 151.17 68.83 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.653 2.235 . . . . 0.0 112.353 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 26.3 p -97.65 142.83 28.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 55.3 p -174.87 163.13 3.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.225 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 N-CA-C 112.562 -0.215 . . . . 0.0 112.562 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -87.01 145.39 26.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.863 0.363 . . . . 0.0 110.878 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.6 p -104.76 135.28 46.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.66 54.49 0.78 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.519 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -95.52 -55.1 3.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.844 0.354 . . . . 0.0 110.841 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.3 m -80.02 -67.26 0.78 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.2 83.65 0.15 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -167.36 0.22 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.302 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.405 ' HB3' ' NH1' ' A' ' 80' ' ' ARG . 3.7 m-20 -116.65 15.48 15.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -119.5 -174.27 15.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.472 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 137.13 34.69 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.698 2.265 . . . . 0.0 112.371 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 39.5 p -140.67 176.27 8.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.121 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 49.96 39.65 19.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 28' ' ' TRP . 8.1 tp -58.91 127.32 31.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -123.39 178.07 5.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -130.14 110.18 11.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.529 ' CD2' ' NE2' ' A' ' 27' ' ' HIS . 4.1 pp -76.93 170.84 15.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.951 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -71.59 115.04 10.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -65.12 160.03 22.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.8 t -164.42 145.07 8.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 58.61 36.59 25.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.74 48.81 42.96 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.481 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.481 ' CZ ' ' HB2' ' A' ' 62' ' ' PRO . 2.6 t80 -129.74 110.11 11.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.871 0.367 . . . . 0.0 110.917 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.09 123.06 43.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.157 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.403 ' CG1' ' HB3' ' A' ' 62' ' ' PRO . 1.9 m -131.1 165.03 32.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.7 mt -109.94 146.93 34.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.529 ' NE2' ' CD2' ' A' ' 17' ' ' LEU . 3.6 m170 -129.03 120.76 26.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.468 ' HB3' ' CD1' ' A' ' 14' ' ' LEU . 2.0 p90 -129.31 153.28 47.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -91.71 125.98 55.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 125.87 12.61 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.659 2.239 . . . . 0.0 112.398 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.9 Cg_endo -69.81 163.68 37.4 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.629 2.219 . . . . 0.0 112.365 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 31' ' ' PRO . 43.9 tt0 -34.5 -50.71 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.811 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -110.62 128.15 25.8 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.69 0.757 . . . . 0.0 110.837 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 151.34 69.02 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.712 2.275 . . . . 0.0 112.314 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.533 HG21 ' CE1' ' A' ' 38' ' ' TYR . 19.1 m -96.62 -177.78 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.96 -51.5 5.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.4 p -142.07 136.9 30.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.152 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.533 ' CE1' HG21 ' A' ' 35' ' ' VAL . 94.1 m-85 -96.71 127.23 42.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -95.73 114.54 26.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.44 HG23 ' N ' ' A' ' 41' ' ' GLN . 5.2 mp -117.2 136.71 53.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.232 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.44 ' N ' HG23 ' A' ' 40' ' ' ILE . 26.9 tt0 -132.36 127.86 36.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.438 ' CG2' HD13 ' A' ' 63' ' ' LEU . 90.4 t -117.78 139.07 46.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.096 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.8 p -144.55 166.48 25.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.507 ' HB1' ' CE2' ' A' ' 72' ' ' TYR . . . -166.84 153.68 8.3 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.634 0.731 . . . . 0.0 111.025 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 110.36 2.55 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.664 2.242 . . . . 0.0 112.362 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.52 9.67 62.76 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.516 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -125.69 151.91 71.4 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.534 0.683 . . . . 0.0 111.109 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.71 148.12 64.72 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.377 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 136.75 33.61 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.65 2.233 . . . . 0.0 112.349 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 tp -116.5 128.56 55.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -128.98 129.14 45.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.524 ' HB1' ' CE2' ' A' ' 61' ' ' TYR . . . -145.09 172.64 12.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -142.45 157.22 45.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.416 ' CG2' ' HB2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -144.77 150.44 46.6 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.61 0.719 . . . . 0.0 111.134 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 152.97 69.63 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.63 2.22 . . . . 0.0 112.38 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.7 -16.69 46.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.2 p -81.41 15.28 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 110.86 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.66 143.07 49.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.117 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.5 m -118.89 18.61 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -169.8 147.62 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.524 ' CE2' ' HB1' ' A' ' 52' ' ' ALA . 15.9 t80 -133.83 96.5 16.32 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.7 0.762 . . . . 0.0 110.92 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 23' ' ' PHE . 54.1 Cg_endo -69.71 112.3 3.03 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.657 2.238 . . . . 0.0 112.307 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.438 HD13 ' CG2' ' A' ' 42' ' ' VAL . 4.3 mt -96.31 133.22 40.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -118.11 173.02 7.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.805 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.9 t0 68.08 48.6 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 90.8 mt -111.38 121.02 44.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.4 t -53.53 131.63 15.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.442 ' N ' HD11 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -78.03 155.19 30.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.959 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 63.3 43.76 5.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.477 HG22 ' CE1' ' A' ' 72' ' ' TYR . 20.6 m -154.53 133.17 12.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -74.12 118.5 17.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.507 ' CE2' ' HB1' ' A' ' 44' ' ' ALA . 9.3 m-85 -114.11 116.89 29.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 57.7 m -91.19 119.96 31.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.413 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -108.22 138.03 45.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.9 m -123.2 111.94 17.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.214 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.447 HG13 ' CZ3' ' A' ' 28' ' ' TRP . 21.4 t -99.89 142.75 14.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.149 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.411 ' N ' HG12 ' A' ' 76' ' ' VAL . 36.0 mtt180 -139.65 179.39 6.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.956 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -134.21 129.43 5.24 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.446 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -93.03 104.72 16.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.749 0.309 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.405 ' NH1' ' HB3' ' A' ' 9' ' ' ASP . 22.0 mmm-85 -121.72 94.98 4.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.65 -152.82 50.03 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 3.49 2.74 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.742 2.294 . . . . 0.0 112.282 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -121.55 176.02 5.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.2 mt -122.29 165.99 15.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 70.4 p -103.66 177.06 4.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 31.2 p -69.76 127.38 92.6 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.719 0.771 . . . . 0.0 110.765 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 154.85 67.33 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.635 2.223 . . . . 0.0 112.341 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -147.32 115.59 6.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 74' ' ' ALA . 12.3 t -122.91 165.96 15.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.431 HG23 ' CD2' ' A' ' 14' ' ' LEU . 20.2 tt -155.34 157.49 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.116 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 7.4 m -106.19 120.95 43.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.097 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.468 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 22.2 p90 -143.47 133.3 23.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 35.0 m -83.17 142.2 31.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.9 p -84.43 169.63 14.35 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 52.2 38.43 48.73 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.0 tp -98.6 40.76 1.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.78 0.324 . . . . 0.0 110.932 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.439 ' O ' ' CD ' ' A' ' 99' ' ' PRO . 4.9 pt-20 -53.29 -174.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -107.0 70.97 0.27 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.603 0.716 . . . . 0.0 111.079 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.439 ' CD ' ' O ' ' A' ' 97' ' ' GLU . 53.8 Cg_endo -69.81 -163.6 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.655 2.236 . . . . 0.0 112.292 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -82.76 -18.28 41.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -91.63 -72.92 0.56 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.9 mp -46.34 -52.14 13.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.27 102.7 4.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.51 153.18 22.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -148.35 130.34 15.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -84.23 173.94 10.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.8 p -140.11 145.37 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.37 101.85 51.64 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.601 0.715 . . . . 0.0 111.143 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 97.17 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.704 2.27 . . . . 0.0 112.393 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.47 ' O ' ' C ' ' A' ' 111' ' ' GLY . 7.7 m -55.0 -33.03 62.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 110' ' ' SER . . . -32.64 96.2 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.435 ' N ' ' O ' ' A' ' 110' ' ' SER . 54.2 Cg_endo -69.75 -20.89 34.31 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.692 2.261 . . . . 0.0 112.373 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 31.5 m 50.17 48.44 22.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.8 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.4 p -75.85 150.58 37.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.839 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.486 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.423 -0.271 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -47.47 142.9 3.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.875 0.369 . . . . 0.0 110.819 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 p -163.24 119.78 1.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.64 56.29 0.57 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.455 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -149.82 137.93 20.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.899 0.38 . . . . 0.0 110.888 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -122.16 77.27 1.37 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.89 83.62 1.57 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -179.26 2.79 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.651 2.234 . . . . 0.0 112.282 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -121.73 18.11 11.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -124.36 -171.53 13.43 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 128.86 16.62 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.63 2.22 . . . . 0.0 112.269 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.2 p -132.34 173.87 10.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.191 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 55.67 40.64 30.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.2 tp -62.39 127.88 33.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -122.43 162.71 21.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -126.43 105.59 8.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.051 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.9 mp -82.17 171.12 14.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -70.79 106.84 3.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.465 HD22 ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -82.24 174.25 11.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.922 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.587 ' CG2' ' CD2' ' A' ' 23' ' ' PHE . 4.9 t -75.61 50.75 0.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.465 ' N ' HD22 ' A' ' 19' ' ' LEU . 1.1 pm0 33.05 41.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -164.38 -56.63 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.6 ' O ' ' CD1' ' A' ' 23' ' ' PHE . 0.6 OUTLIER -120.23 120.51 36.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 0.0 110.807 -179.844 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.48 ' HB3' ' CE1' ' A' ' 92' ' ' PHE . . . -100.16 157.15 16.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.053 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -124.77 146.14 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.1 mt -91.32 111.8 23.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.021 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -102.62 118.9 37.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.42 ' C ' ' CD1' ' A' ' 28' ' ' TRP . 1.9 p90 -129.42 153.99 47.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.1 tttt -88.05 122.51 69.93 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.6 0.714 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 118.82 5.91 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.623 2.215 . . . . 0.0 112.347 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 162.54 41.7 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.637 2.225 . . . . 0.0 112.368 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -47.61 -46.59 28.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.804 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -86.01 114.8 59.04 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.629 0.728 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 117.63 5.21 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.646 2.231 . . . . 0.0 112.359 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.594 ' CG2' ' CZ ' ' A' ' 38' ' ' TYR . 9.9 m -71.68 -176.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.045 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 56' ' ' GLY . 1.0 OUTLIER -103.45 -55.49 2.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.903 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 p -139.75 134.82 32.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.594 ' CZ ' ' CG2' ' A' ' 35' ' ' VAL . 82.1 m-85 -93.59 126.84 38.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -94.89 124.14 38.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.1 mp -123.75 139.17 51.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -133.29 114.14 13.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.465 ' HB ' ' CB ' ' A' ' 50' ' ' LEU . 1.2 t -113.92 107.18 22.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.114 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.9 p -128.62 155.58 44.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -151.19 162.69 26.06 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.513 0.673 . . . . 0.0 111.131 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 95.02 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.613 2.208 . . . . 0.0 112.391 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 114.17 -36.2 4.11 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.452 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.44 157.04 80.79 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.638 0.732 . . . . 0.0 111.071 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.67 158.68 56.24 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.722 2.281 . . . . 0.0 112.346 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 134.43 27.88 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.676 2.251 . . . . 0.0 112.335 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.504 ' C ' ' CD1' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -102.71 117.89 35.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.426 ' N ' HD13 ' A' ' 50' ' ' LEU . 10.4 tt0 -126.04 119.68 28.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -157.49 160.23 38.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.068 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -136.83 162.4 33.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.97 151.44 41.59 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.578 0.704 . . . . 0.0 111.126 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.6 155.44 66.44 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.724 2.282 . . . . 0.0 112.378 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 36' ' ' ASP . . . -61.37 -17.33 52.69 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.513 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.2 t -84.44 28.94 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.938 0.399 . . . . 0.0 110.872 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.44 132.78 41.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.174 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.7 m -116.11 22.74 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -171.17 131.24 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -127.52 96.4 33.2 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.689 0.757 . . . . 0.0 110.925 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 113.26 3.31 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.716 2.277 . . . . 0.0 112.322 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.0 mt -93.03 119.59 32.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -106.52 167.96 9.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.1 t70 72.9 51.15 0.15 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.836 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 97.1 mt -114.37 122.53 46.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.4 t -55.95 130.01 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.168 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -72.93 163.22 28.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 51.21 53.16 13.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.2 m -156.94 142.22 17.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.095 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -84.49 111.28 19.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -105.45 130.74 53.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.5 m -103.87 119.53 39.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.181 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -111.14 147.97 33.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 61.0 m -135.81 111.25 9.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 48.9 t -96.18 137.39 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.1 mtt180 -136.41 166.48 23.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -121.1 125.52 6.22 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -91.68 104.8 17.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.789 0.328 . . . . 0.0 110.843 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -122.07 94.54 4.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.53 -152.9 49.67 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.44 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 3.69 2.62 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.648 2.232 . . . . 0.0 112.38 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -119.56 175.88 5.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.4 mt -124.72 163.12 22.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 60.3 p -102.97 177.55 4.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.2 p -70.21 120.94 81.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.667 0.746 . . . . 0.0 110.871 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 155.15 66.44 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.663 2.242 . . . . 0.0 112.35 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -140.36 115.62 9.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.1 t -115.82 159.59 21.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.413 HG12 ' N ' ' A' ' 91' ' ' THR . 19.2 tt -157.04 160.58 2.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.413 ' N ' HG12 ' A' ' 90' ' ' ILE . 23.7 m -112.93 123.06 49.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.099 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.48 ' CE1' ' HB3' ' A' ' 24' ' ' ALA . 33.8 p90 -142.37 126.16 17.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.929 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 55.4 m -83.1 142.65 31.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.2 p -91.73 125.21 36.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.174 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . 116.56 -111.71 2.4 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.481 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 4.2 pp 33.74 41.54 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.811 0.338 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -54.93 -17.1 3.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -126.54 83.58 64.36 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.594 0.712 . . . . 0.0 111.166 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -0.07 6.39 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.701 2.267 . . . . 0.0 112.354 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.44 ' HB3' ' NH1' ' A' ' 100' ' ' ARG . 3.3 mmm180 -75.48 -63.0 1.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -174.39 116.4 0.2 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.7 mt -79.7 136.72 36.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 104' ' ' ALA . 6.6 tp10 70.86 45.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . -34.46 141.02 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.148 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.6 mttp -43.07 153.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 107' ' ' VAL . 5.1 tt0 -160.53 178.12 9.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 106' ' ' GLU . 3.6 m -36.07 141.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.138 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.5 t -171.16 141.39 1.36 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.623 0.725 . . . . 0.0 111.068 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 110' ' ' SER . 54.9 Cg_endo -69.69 -167.61 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.698 2.265 . . . . 0.0 112.396 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 109' ' ' PRO . 1.5 t -37.6 115.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -41.61 144.46 0.79 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.464 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.81 -171.38 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.737 2.291 . . . . 0.0 112.321 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 18.1 m -84.03 127.18 33.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.7 m -95.68 165.24 12.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.505 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.1 m -98.97 90.18 4.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.353 . . . . 0.0 110.835 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.3 p -108.03 -54.76 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.67 -88.3 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.436 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 t -94.62 112.75 24.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.819 0.342 . . . . 0.0 110.913 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -126.29 132.72 51.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.28 177.64 17.84 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.425 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -167.34 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.673 2.249 . . . . 0.0 112.359 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.13 2.32 12.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.07 -166.01 17.57 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.483 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 130.61 19.71 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.743 2.295 . . . . 0.0 112.284 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.8 p -135.13 179.52 6.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.2 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 53.01 36.26 21.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.461 HD22 ' CG2' ' A' ' 90' ' ' ILE . 5.4 tp -58.11 124.84 20.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.869 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 16' ' ' ALA . 13.4 tpp180 -117.23 150.84 38.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.456 ' N ' ' HG3' ' A' ' 15' ' ' ARG . . . -106.3 104.94 14.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' A' ' 27' ' ' HIS . 5.3 mp -74.3 171.26 13.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -70.85 111.56 6.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.463 ' CD1' ' HA ' ' A' ' 24' ' ' ALA . 3.5 mm? -62.93 143.84 57.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.458 ' O ' ' C ' ' A' ' 21' ' ' GLU . 35.6 p -89.73 -174.61 4.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 20' ' ' THR . 29.3 tt0 -33.36 -63.47 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -149.96 55.65 0.48 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.442 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.479 ' CZ ' ' HB2' ' A' ' 62' ' ' PRO . 3.4 t80 -139.99 107.96 5.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.336 . . . . 0.0 110.851 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.463 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . . . -100.21 124.96 46.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.031 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 m -135.06 164.37 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.5 mt -113.53 162.39 16.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.465 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 6.7 t-80 -142.84 119.98 11.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.783 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.665 ' CZ2' ' CD2' ' A' ' 38' ' ' TYR . 2.1 p90 -129.08 153.94 47.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -92.15 122.19 65.35 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.574 0.702 . . . . 0.0 110.908 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 113.97 3.54 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.644 2.229 . . . . 0.0 112.373 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 32' ' ' GLN . 54.0 Cg_endo -69.77 152.65 69.29 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.682 2.255 . . . . 0.0 112.398 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 31' ' ' PRO . 2.9 tm0? -34.5 -39.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.56 100.91 11.76 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.609 0.719 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 111.37 2.79 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.514 ' CG2' ' CE1' ' A' ' 38' ' ' TYR . 27.6 m -60.64 -174.97 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.077 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -94.04 -56.4 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.3 p -140.36 141.18 35.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.665 ' CD2' ' CZ2' ' A' ' 28' ' ' TRP . 64.4 m-85 -96.25 129.72 43.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -97.08 106.42 18.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mp -105.15 136.09 40.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -129.37 113.62 15.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.425 ' CG2' HD11 ' A' ' 63' ' ' LEU . 53.1 t -99.65 123.11 52.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.7 p -140.4 170.18 16.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.547 ' HB3' ' CD1' ' A' ' 72' ' ' TYR . . . -174.67 151.32 1.49 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.584 0.707 . . . . 0.0 111.072 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 84.89 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.709 2.272 . . . . 0.0 112.356 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 121.01 24.07 2.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.531 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.64 153.18 54.46 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.538 0.685 . . . . 0.0 111.035 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 146.98 61.56 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.638 2.226 . . . . 0.0 112.364 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 144.97 55.5 Favored 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.657 2.238 . . . . 0.0 112.333 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 51' ' ' GLN . 4.7 tp -129.28 130.06 45.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.969 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.433 ' N ' HD12 ' A' ' 50' ' ' LEU . 4.2 tp60 -122.51 130.92 53.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -148.06 168.25 22.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -146.09 159.42 43.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 t -157.5 145.66 14.18 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.574 0.702 . . . . 0.0 111.164 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 147.63 63.18 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.754 2.303 . . . . 0.0 112.37 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -47.96 -39.28 18.27 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.432 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 51.6 m -43.95 -25.05 0.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.819 0.342 . . . . 0.0 110.853 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.33 137.37 32.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.087 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.7 m -114.53 22.28 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -170.17 144.55 2.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -131.5 96.51 21.11 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.693 0.759 . . . . 0.0 110.932 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.479 ' HB2' ' CZ ' ' A' ' 23' ' ' PHE . 54.1 Cg_endo -69.69 106.26 1.62 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.72 2.28 . . . . 0.0 112.306 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.425 HD11 ' CG2' ' A' ' 42' ' ' VAL . 5.1 mt -89.25 131.94 35.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -116.64 171.18 8.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.9 t70 68.97 51.77 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 73.2 mt -115.31 127.98 55.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.5 t -60.64 134.08 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.422 ' N ' HD12 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -81.33 152.71 27.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.5 m170 66.06 41.86 3.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 54.2 m -150.94 127.24 10.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -69.99 110.19 4.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.547 ' CD1' ' HB3' ' A' ' 44' ' ' ALA . 15.4 m-85 -104.92 130.78 53.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.4 m -102.24 119.69 39.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.206 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -109.21 138.66 45.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.062 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 38.5 m -127.48 119.69 26.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.3 t -106.46 136.28 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.125 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 38.1 mtm-85 -128.34 171.09 12.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -123.96 124.06 5.39 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.436 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -89.39 102.65 15.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.787 0.327 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.442 ' HG3' ' CG1' ' A' ' 35' ' ' VAL . 37.1 mtp180 -121.66 96.79 5.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 61.16 -151.92 41.49 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.462 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 3.58 2.69 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.699 2.266 . . . . 0.0 112.357 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -120.73 176.36 5.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.5 mt -128.78 157.94 40.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 45.6 p -93.89 177.71 5.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.14 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.4 m -71.24 127.73 91.09 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.731 0.777 . . . . 0.0 110.84 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 140.74 43.61 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.746 2.297 . . . . 0.0 112.322 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -128.74 115.76 18.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.3 t -119.43 160.16 22.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.461 ' CG2' HD22 ' A' ' 14' ' ' LEU . 21.2 tt -152.69 153.49 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.4 m -99.07 130.09 45.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.15 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.52 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 16.9 p90 -149.39 131.94 15.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.5 m -90.07 132.57 35.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 26.4 p -88.74 150.41 22.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.168 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 61.92 87.69 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.434 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -128.5 36.85 4.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.796 0.332 . . . . 0.0 110.951 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -46.45 111.92 0.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -167.25 119.77 0.76 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.618 0.723 . . . . 0.0 111.094 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -9.1 25.27 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.242 . . . . 0.0 112.37 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -130.61 -61.69 0.94 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -168.77 171.05 8.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.9 tp -76.55 -41.58 45.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -77.81 110.09 12.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -99.34 164.82 11.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 53.4 mttt -93.41 115.48 28.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -133.03 68.62 1.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 27.8 m -112.98 155.9 14.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.076 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 77.5 p -111.56 83.17 4.15 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.576 0.703 . . . . 0.0 111.181 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -31.05 21.38 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.672 2.248 . . . . 0.0 112.385 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 52.4 p -156.85 146.05 20.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -125.45 80.0 0.36 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 -178.65 2.41 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.729 2.286 . . . . 0.0 112.353 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 77.6 p -142.96 162.06 36.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.0 t -117.52 168.2 10.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.83 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.488 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.1 p -157.53 120.89 4.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.903 0.382 . . . . 0.0 110.82 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.3 t -83.6 96.64 8.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.894 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.92 -175.55 15.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.3 p -96.09 96.91 9.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.384 . . . . 0.0 110.862 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -126.84 128.84 47.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.931 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.15 170.76 13.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.449 ' CB ' ' HB2' ' A' ' 86' ' ' SER . 53.3 Cg_endo -69.82 175.82 7.64 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.625 2.217 . . . . 0.0 112.32 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -96.13 13.01 28.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -114.72 -167.09 15.54 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.535 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 121.59 8.28 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.64 2.227 . . . . 0.0 112.381 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.443 ' CG2' ' HG2' ' A' ' 8' ' ' PRO . 47.4 p -124.26 165.12 18.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 56.6 39.98 29.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.458 HD23 ' CG2' ' A' ' 90' ' ' ILE . 9.2 tp -59.89 121.91 12.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -116.06 162.56 17.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.32 106.79 16.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.058 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.428 HD12 ' CE1' ' A' ' 27' ' ' HIS . 1.5 tp -71.18 169.82 14.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -70.64 129.47 39.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.6 mp -62.91 162.4 11.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.967 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.5 m -116.32 98.84 6.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 44.96 32.69 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.89 35.12 3.07 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.455 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.409 ' CE1' ' O ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -138.9 107.7 5.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.799 0.333 . . . . 0.0 110.905 -179.838 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -97.14 148.14 23.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -134.99 164.68 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.0 mt -107.04 132.58 52.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.428 ' CE1' HD12 ' A' ' 17' ' ' LEU . 5.5 m170 -119.59 119.75 34.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.822 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.444 ' HB3' ' CD1' ' A' ' 14' ' ' LEU . 1.8 p90 -127.19 153.53 45.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -95.38 125.95 47.86 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.598 0.713 . . . . 0.0 110.855 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.88 119.4 6.34 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.703 2.269 . . . . 0.0 112.308 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 161.36 46.24 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.629 2.22 . . . . 0.0 112.337 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.6 tp60 -38.31 -55.65 1.32 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.537 ' ND2' ' CZ ' ' A' ' 80' ' ' ARG . 0.3 OUTLIER -88.39 116.86 67.49 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.616 0.722 . . . . 0.0 110.868 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 142.47 48.15 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.736 2.291 . . . . 0.0 112.332 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.562 HG22 ' CE1' ' A' ' 38' ' ' TYR . 26.4 m -94.3 -174.91 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.228 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -104.24 -53.15 2.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.7 p -142.42 134.41 27.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.133 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.562 ' CE1' HG22 ' A' ' 35' ' ' VAL . 85.5 m-85 -94.29 129.72 40.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -94.85 111.98 23.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.79 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.464 HG21 ' N ' ' A' ' 41' ' ' GLN . 5.3 mp -111.75 139.96 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.464 ' N ' HG21 ' A' ' 40' ' ' ILE . 8.5 tt0 -137.63 119.33 15.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.95 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.8 t -106.69 128.5 61.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.114 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.7 p -146.98 150.76 35.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.168 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.439 ' HB1' ' CE2' ' A' ' 72' ' ' TYR . . . -154.99 160.38 30.96 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.602 0.715 . . . . 0.0 111.124 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 104.44 1.32 Allowed 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.744 2.296 . . . . 0.0 112.333 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.46 27.89 16.32 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.12 151.8 68.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.526 0.679 . . . . 0.0 111.138 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 144.82 55.34 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 139.23 39.64 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.678 2.252 . . . . 0.0 112.295 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.425 HD11 ' N ' ' A' ' 51' ' ' GLN . 5.2 tp -126.42 127.71 45.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.425 ' N ' HD11 ' A' ' 50' ' ' LEU . 20.2 tt0 -125.91 136.03 52.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.556 ' HB1' ' CE2' ' A' ' 61' ' ' TYR . . . -151.61 160.99 43.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -136.1 160.13 39.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.7 t -153.05 145.22 16.95 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.602 0.715 . . . . 0.0 111.123 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 149.28 66.5 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.637 2.225 . . . . 0.0 112.319 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.11 -13.17 3.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.54 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.4 t -77.06 8.89 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.824 0.345 . . . . 0.0 110.793 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -125.97 139.97 53.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.071 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.1 m -119.59 26.68 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -170.85 137.46 1.25 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.556 ' CE2' ' HB1' ' A' ' 52' ' ' ALA . 12.2 t80 -133.06 96.48 17.61 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.72 0.771 . . . . 0.0 110.934 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 124.43 11.07 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.679 2.253 . . . . 0.0 112.379 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.409 ' O ' ' CE1' ' A' ' 23' ' ' PHE . 4.4 mt -98.57 134.85 40.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -120.64 179.07 4.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.7 t70 57.75 40.13 26.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 70.2 mt -105.28 117.75 34.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 63.2 t -53.16 134.8 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.03 160.39 29.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 56.77 48.74 15.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.819 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 89.7 m -152.14 130.06 11.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.193 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 35.2 p-10 -78.19 99.1 6.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.439 ' CE2' ' HB1' ' A' ' 44' ' ' ALA . 12.0 m-85 -91.99 140.54 29.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 70.4 m -114.03 120.77 41.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -112.62 141.1 46.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.2 m -125.06 111.79 15.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.47 HG12 ' N ' ' A' ' 77' ' ' ARG . 72.9 t -96.39 147.08 6.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.47 ' N ' HG12 ' A' ' 76' ' ' VAL . 50.4 mtm-85 -142.59 170.72 15.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -125.91 118.21 3.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.4 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.417 ' CD1' HD23 ' A' ' 84' ' ' LEU . 4.5 mm? -90.15 99.73 12.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 0.0 110.849 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.537 ' CZ ' ' ND2' ' A' ' 33' ' ' ASN . 38.0 mtp180 -117.23 94.41 4.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.35 -151.12 50.5 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 3.46 2.73 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.661 2.24 . . . . 0.0 112.395 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -121.49 171.09 9.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.417 HD23 ' CD1' ' A' ' 79' ' ' LEU . 6.6 mt -127.55 164.96 20.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 58.2 p -103.49 178.02 4.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.449 ' HB2' ' CB ' ' A' ' 8' ' ' PRO . 2.1 m -71.78 127.86 90.28 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.619 0.723 . . . . 0.0 110.832 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 140.62 43.24 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.702 2.268 . . . . 0.0 112.335 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -129.73 115.61 17.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.9 t -116.31 171.43 7.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.458 ' CG2' HD23 ' A' ' 14' ' ' LEU . 16.7 tt -162.73 156.34 2.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.7 m -110.79 113.47 26.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.168 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -126.64 141.65 51.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 35.7 m -92.58 130.13 38.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.155 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 74.6 p -86.82 172.99 9.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.151 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 67.15 -145.54 46.42 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.502 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.0 tp 62.03 44.18 8.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.761 0.315 . . . . 0.0 110.904 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -114.8 -33.47 5.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -41.04 154.89 0.22 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.547 0.689 . . . . 0.0 111.057 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -14.4 36.1 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.772 2.315 . . . . 0.0 112.295 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -53.28 140.77 25.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.842 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -44.02 117.16 1.14 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.793 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 76.0 mt -94.25 178.01 5.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -90.32 74.49 6.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 105' ' ' LYS . . . -97.7 48.61 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.069 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 104' ' ' ALA . 66.7 mttm 37.21 46.41 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -82.04 46.31 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 85.0 t -62.48 -56.57 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.138 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -36.47 114.48 0.61 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.548 0.69 . . . . 0.0 111.187 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -176.08 1.37 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.692 2.261 . . . . 0.0 112.33 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.3 m -139.97 125.86 19.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 110.7 144.73 10.09 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.518 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 174.65 9.22 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.652 2.235 . . . . 0.0 112.336 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 11.7 t -174.94 160.48 2.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.796 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.6 t -139.02 127.39 22.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.8 m -77.15 167.11 22.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.907 0.384 . . . . 0.0 110.775 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.8 m -65.71 -49.35 68.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.85 -124.62 1.6 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.486 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.6 p -122.65 176.37 5.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.889 0.376 . . . . 0.0 110.833 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -90.34 41.28 1.04 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.95 87.13 1.68 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.419 ' CG ' HG23 ' A' ' 12' ' ' THR . 53.1 Cg_endo -69.84 -164.55 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.643 2.229 . . . . 0.0 112.335 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 80' ' ' ARG . 12.3 m-20 -120.61 -17.41 8.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.457 ' N ' ' HB ' ' A' ' 85' ' ' THR . . . -97.45 -170.14 33.09 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 138.05 36.72 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.326 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.419 HG23 ' CG ' ' A' ' 8' ' ' PRO . 82.1 p -135.83 163.54 29.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.147 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 61.23 36.64 17.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.434 ' CD2' HG22 ' A' ' 90' ' ' ILE . 7.4 tp -60.36 109.66 1.05 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -118.47 152.68 35.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -102.67 113.01 26.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 pp -72.09 170.93 12.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.445 ' O ' ' CG ' ' A' ' 18' ' ' ASN . 2.9 p30 -70.95 115.7 10.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.449 ' CD2' ' HA ' ' A' ' 24' ' ' ALA . 8.2 mt -67.62 113.82 5.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -75.49 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 23' ' ' PHE . 32.0 tt0 -108.92 83.77 1.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.936 0.398 . . . . 0.0 110.924 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . 35.68 31.79 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.494 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 21' ' ' GLU . 1.6 t80 -108.49 108.05 18.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.803 0.335 . . . . 0.0 110.886 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.449 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . . . -84.28 128.66 34.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.9 m -135.06 157.55 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 mt -99.59 153.1 19.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -141.09 118.63 11.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.571 ' CZ2' ' CD2' ' A' ' 38' ' ' TYR . 2.3 p90 -129.54 154.12 47.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 ttmm -95.26 127.41 42.46 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.628 0.728 . . . . 0.0 110.866 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 121.2 7.91 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.708 2.272 . . . . 0.0 112.34 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.4 Cg_endo -69.76 170.0 17.6 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.689 2.26 . . . . 0.0 112.316 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 31' ' ' PRO . 28.7 tt0 -34.59 -51.72 0.49 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -108.53 120.92 44.95 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.552 0.691 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 117.29 5.0 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.633 2.222 . . . . 0.0 112.369 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.563 HG22 ' CE1' ' A' ' 38' ' ' TYR . 15.5 m -58.04 -178.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -94.16 -54.13 3.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.3 p -142.29 134.55 27.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.169 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.571 ' CD2' ' CZ2' ' A' ' 28' ' ' TRP . 86.9 m-85 -92.04 126.99 37.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -95.11 107.29 19.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.432 HG21 ' N ' ' A' ' 41' ' ' GLN . 5.3 mp -107.21 135.59 45.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.432 ' N ' HG21 ' A' ' 40' ' ' ILE . 41.6 tt0 -129.87 116.17 18.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.466 ' CG2' HD22 ' A' ' 63' ' ' LEU . 30.4 t -108.8 134.41 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 47.7 p -146.98 164.42 33.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.429 ' HB1' ' CE1' ' A' ' 72' ' ' TYR . . . -159.69 162.54 24.83 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.593 0.711 . . . . 0.0 111.072 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 85.75 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.672 2.248 . . . . 0.0 112.398 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.5 -37.43 3.47 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.46 151.7 97.07 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.593 0.711 . . . . 0.0 111.05 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.76 148.55 65.33 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.656 2.238 . . . . 0.0 112.348 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 137.91 36.26 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.654 2.236 . . . . 0.0 112.301 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.5 tp -119.78 130.17 54.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.976 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -125.3 122.16 36.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.536 ' HB3' ' CE2' ' A' ' 61' ' ' TYR . . . -141.02 169.66 17.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -146.64 166.06 27.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.465 ' HB ' ' CE1' ' A' ' 61' ' ' TYR . 5.0 t -159.6 143.18 10.63 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.573 0.701 . . . . 0.0 111.134 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 150.98 68.71 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.613 2.209 . . . . 0.0 112.317 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.48 -14.88 5.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.507 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.4 t -74.67 5.01 5.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.349 . . . . 0.0 110.863 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -124.6 132.51 53.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.129 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.1 m -112.48 29.13 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.125 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -170.3 140.85 1.93 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.536 ' CE2' ' HB3' ' A' ' 52' ' ' ALA . 7.1 t80 -133.41 96.62 16.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.659 0.742 . . . . 0.0 110.9 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.462 ' HB2' ' CE2' ' A' ' 23' ' ' PHE . 53.9 Cg_endo -69.79 105.93 1.58 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.741 2.294 . . . . 0.0 112.332 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.466 HD22 ' CG2' ' A' ' 42' ' ' VAL . 7.6 mt -79.56 127.57 32.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.5 p80 -115.88 173.61 6.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.6 t0 59.49 51.29 6.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.3 mt -118.57 116.49 26.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.8 t -54.45 132.52 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.436 ' N ' HD11 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -75.37 166.72 23.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.958 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.445 ' CD2' ' N ' ' A' ' 69' ' ' HIS . 3.4 m170 53.34 40.59 31.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 86.3 m -147.07 130.96 17.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.402 ' OD1' ' C ' ' A' ' 71' ' ' ASN . 3.4 t-20 -70.94 121.1 17.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.9 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.429 ' CE1' ' HB1' ' A' ' 44' ' ' ALA . 13.9 m-85 -119.65 127.36 52.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 94.8 m -106.86 120.52 42.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.124 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -110.5 142.51 42.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.063 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.3 m -128.29 112.05 14.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.133 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' ' 77' ' ' ARG . 64.0 t -95.77 150.93 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.428 ' N ' HG13 ' A' ' 76' ' ' VAL . 52.6 mtm-85 -143.07 173.17 11.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -126.44 114.45 2.03 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.432 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.409 ' N ' HD23 ' A' ' 79' ' ' LEU . 3.7 mm? -86.46 101.5 13.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.778 0.323 . . . . 0.0 110.949 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 9' ' ' ASP . 18.2 mtm180 -122.01 95.33 4.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 63.92 -153.38 47.7 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.491 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 3.95 2.46 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.701 2.267 . . . . 0.0 112.347 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -120.01 173.08 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 mt -128.74 156.93 42.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.457 ' HB ' ' N ' ' A' ' 10' ' ' GLY . 12.5 p -97.95 174.98 6.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.4 p -67.35 127.06 93.37 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.656 0.741 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 148.06 64.09 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.712 2.275 . . . . 0.0 112.328 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.72 115.59 13.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.096 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.3 t -118.3 160.51 21.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.434 HG22 ' CD2' ' A' ' 14' ' ' LEU . 18.2 tt -152.71 150.66 12.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.178 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.5 m -102.33 113.79 27.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.119 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.545 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 18.4 p90 -137.53 130.41 30.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 24.2 m -75.13 147.61 40.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.087 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.4 p -97.91 153.15 18.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 60.15 77.05 0.2 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.522 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 15.5 tp -102.38 52.34 0.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.764 0.316 . . . . 0.0 110.933 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -83.96 -54.58 4.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -135.68 115.9 11.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.553 0.692 . . . . 0.0 111.113 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 0.11 6.15 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.72 2.28 . . . . 0.0 112.322 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -54.83 -15.15 1.73 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -124.14 -71.24 0.72 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.8 pp -54.25 150.03 9.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -65.72 138.15 57.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.958 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -147.96 127.79 13.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 11.2 ptpp? -89.49 139.67 30.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -139.53 151.73 46.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 33.6 m -41.41 157.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 77.7 p -118.85 147.26 41.96 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.552 0.691 . . . . 0.0 111.183 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 162.42 42.15 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.664 2.243 . . . . 0.0 112.277 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.0 p -112.85 151.16 30.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -164.57 159.97 33.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.58 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 168.67 20.88 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.274 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 51.2 p -128.73 172.95 10.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.834 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.3 m -137.27 177.43 7.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.464 -179.954 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.7 m -128.15 159.95 33.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.89 0.376 . . . . 0.0 110.801 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.9 p -148.08 124.62 11.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.69 171.22 29.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.467 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.9 m -108.16 93.37 4.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.914 0.388 . . . . 0.0 110.877 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.0 p -128.92 119.59 24.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.83 70.5 0.3 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.455 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -175.46 1.17 Allowed 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.746 2.297 . . . . 0.0 112.34 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.42 ' C ' HG21 ' A' ' 85' ' ' THR . 0.7 OUTLIER -92.47 -3.1 55.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 179.918 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.402 ' N ' ' HB ' ' A' ' 85' ' ' THR . . . -109.45 -173.77 20.96 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.448 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 137.03 34.39 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.5 p -138.54 166.36 24.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 62.67 40.96 9.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.957 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.46 ' CD2' HG21 ' A' ' 90' ' ' ILE . 3.6 tp -69.0 140.42 55.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.943 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -141.23 162.0 36.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.17 105.04 16.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.079 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -77.12 171.1 15.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -70.98 126.22 28.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.788 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.6 mp -62.91 155.76 26.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.554 HG22 ' CZ ' ' A' ' 23' ' ' PHE . 13.7 t -86.46 30.73 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.169 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 59.39 34.74 22.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.24 -52.19 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.52 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.554 ' CZ ' HG22 ' A' ' 20' ' ' THR . 18.3 p90 -137.96 141.54 40.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.339 . . . . 0.0 110.908 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.97 150.02 21.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.083 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -127.05 163.48 29.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 35.6 mt -105.06 139.17 40.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -124.53 118.75 27.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.459 ' HB3' ' CD1' ' A' ' 14' ' ' LEU . 1.8 p90 -129.45 151.9 49.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.43 ' HE3' ' N ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -93.53 128.14 43.42 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.548 0.69 . . . . 0.0 110.925 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 126.14 12.97 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.741 2.294 . . . . 0.0 112.299 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 173.33 11.19 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.599 2.199 . . . . 0.0 112.317 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -46.24 -48.82 17.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -103.77 123.02 42.62 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.67 0.748 . . . . 0.0 110.831 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 132.35 23.09 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.67 2.247 . . . . 0.0 112.345 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.523 HG21 ' CE1' ' A' ' 38' ' ' TYR . 22.8 m -80.69 -177.38 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.156 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -97.25 -55.38 2.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.4 p -142.02 135.21 29.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.523 ' CE1' HG21 ' A' ' 35' ' ' VAL . 90.2 m-85 -92.07 133.78 35.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -98.41 101.62 13.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.826 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.1 mp -102.27 137.98 28.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -137.43 113.49 9.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.9 t -100.53 129.07 51.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.166 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.5 p -141.59 157.58 44.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.475 ' HB3' ' CE1' ' A' ' 72' ' ' TYR . . . -155.72 163.32 25.11 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 0.0 111.14 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.81 82.6 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.726 2.284 . . . . 0.0 112.29 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 117.41 -35.11 4.26 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.476 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.36 151.63 96.79 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.546 0.688 . . . . 0.0 111.113 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 148.33 65.29 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.696 2.264 . . . . 0.0 112.311 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 145.03 56.46 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 0.0 112.324 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.444 HD11 ' N ' ' A' ' 51' ' ' GLN . 3.7 tp -128.55 130.14 46.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.444 ' N ' HD11 ' A' ' 50' ' ' LEU . 8.1 tp60 -123.11 116.29 23.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.562 ' HB3' ' CE2' ' A' ' 61' ' ' TYR . . . -137.75 154.97 49.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -130.81 162.68 29.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.479 ' HB ' ' CD1' ' A' ' 61' ' ' TYR . 1.2 t -151.85 145.98 18.25 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.559 0.695 . . . . 0.0 111.251 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 147.96 64.56 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.74 2.293 . . . . 0.0 112.355 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.99 -16.1 5.74 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.498 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 95.1 p -82.66 19.04 1.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.815 0.34 . . . . 0.0 110.875 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -129.4 131.95 46.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.0 m -115.11 27.43 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.183 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -170.61 133.78 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.824 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 52' ' ' ALA . 12.6 t80 -132.22 97.45 18.12 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.628 0.727 . . . . 0.0 110.951 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 125.09 11.74 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.647 2.231 . . . . 0.0 112.351 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.1 mt -108.45 120.32 42.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -105.56 -179.58 3.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.79 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 63.56 49.76 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 44.2 mt -114.6 121.46 43.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 68' ' ' LEU . 91.8 t -55.64 133.72 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.155 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.413 ' N ' HG12 ' A' ' 67' ' ' VAL . 0.6 OUTLIER -77.66 155.45 31.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.975 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 11.8 m170 60.89 49.6 5.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.5 m -161.65 139.49 9.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.203 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -76.92 133.27 39.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.837 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.475 ' CE1' ' HB3' ' A' ' 44' ' ' ALA . 10.5 m-85 -123.16 134.55 54.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.1 m -106.52 120.54 42.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.144 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -115.22 117.27 30.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.1 m -106.82 116.73 32.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 45.9 t -105.2 145.21 13.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 65.7 mtm-85 -138.13 172.92 12.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -125.46 128.52 6.59 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -94.57 100.43 12.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.763 0.316 . . . . 0.0 110.93 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 29.9 mmm-85 -119.76 95.52 4.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.98 -152.62 50.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.439 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 3.69 2.6 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.737 2.291 . . . . 0.0 112.291 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -121.39 178.08 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.9 mt -126.94 163.06 24.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.42 HG21 ' C ' ' A' ' 9' ' ' ASP . 44.4 p -98.7 176.11 5.75 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.154 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 85.8 p -69.08 126.06 92.46 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.652 0.739 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 142.67 48.93 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.709 2.273 . . . . 0.0 112.395 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.39 117.4 16.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 26.3 t -126.14 152.45 45.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.826 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.46 HG21 ' CD2' ' A' ' 14' ' ' LEU . 18.7 tt -142.69 158.2 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.16 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.405 ' N ' HG12 ' A' ' 90' ' ' ILE . 0.7 OUTLIER -105.03 125.47 51.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.164 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.47 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 36.6 p90 -142.56 128.95 20.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.805 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 96.0 m -91.32 133.78 35.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.3 p -81.4 153.93 26.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 104.05 -102.65 2.17 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.508 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.9 tp 50.81 52.38 15.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.727 0.298 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.34 141.98 40.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -156.43 139.98 11.24 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.679 0.752 . . . . 0.0 111.07 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -30.33 22.11 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.737 2.291 . . . . 0.0 112.321 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 35.9 mtm180 -105.43 -74.78 0.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -168.91 136.35 1.91 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.842 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.1 tt -106.12 -54.94 2.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -114.01 -42.53 3.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.62 105.42 7.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.036 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 45.5 tttm -89.16 109.07 19.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -53.83 127.64 26.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.4 m -124.67 144.89 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 47.6 m -110.77 81.22 2.44 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.569 0.7 . . . . 0.0 111.147 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 154.44 67.81 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.688 2.258 . . . . 0.0 112.339 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 88.1 p -111.85 163.78 13.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -130.14 124.02 4.2 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.44 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 159.47 53.26 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.629 2.219 . . . . 0.0 112.392 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 114' ' ' SER . 44.9 p -155.09 135.02 12.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.865 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 113' ' ' SER . 25.7 p -37.52 -61.62 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.553 179.932 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.9 m -84.51 42.15 0.88 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.858 0.361 . . . . 0.0 110.806 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -78.19 151.9 32.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.87 -165.24 14.32 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.494 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.7 t -48.48 -58.36 4.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.852 0.358 . . . . 0.0 110.849 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.0 t -154.09 152.59 30.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.7 -92.29 1.58 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -170.7 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.662 2.241 . . . . 0.0 112.345 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.546 ' CB ' ' CZ ' ' A' ' 80' ' ' ARG . 0.9 OUTLIER -110.64 11.47 22.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.23 -157.69 13.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 121.69 8.38 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.624 2.216 . . . . 0.0 112.387 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 65.6 p -128.89 166.08 19.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 63.82 34.81 11.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.427 HD23 ' CG2' ' A' ' 90' ' ' ILE . 4.7 tp -58.27 125.55 23.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.965 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -127.88 172.45 10.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.804 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -125.22 105.06 8.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.452 ' O ' ' CD1' ' A' ' 19' ' ' LEU . 0.7 OUTLIER -87.64 155.34 20.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.979 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -72.76 85.12 1.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.467 ' CD2' ' C ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -84.79 167.96 15.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.846 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 19' ' ' LEU . 97.9 m -34.53 135.15 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.89 84.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.839 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.95 -45.84 0.82 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.468 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.492 ' CE1' ' HB2' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -92.21 108.23 19.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.894 0.378 . . . . 0.0 110.79 -179.807 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.49 137.19 32.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.045 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -135.0 159.23 41.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.158 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.405 HD22 ' CB ' ' A' ' 74' ' ' ALA . 34.5 mt -102.02 143.34 31.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -126.56 119.04 26.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.831 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.489 ' CZ2' ' CD2' ' A' ' 38' ' ' TYR . 1.8 p90 -129.23 153.28 47.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -92.55 122.35 64.47 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.582 0.706 . . . . 0.0 110.935 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 114.35 3.66 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.724 2.283 . . . . 0.0 112.322 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.6 Cg_endo -69.83 150.38 67.74 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.726 2.284 . . . . 0.0 112.329 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 31' ' ' PRO . 30.0 tt0 -34.28 -38.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.434 ' ND2' ' HB3' ' A' ' 9' ' ' ASP . 0.3 OUTLIER -96.78 106.64 31.75 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.621 0.724 . . . . 0.0 110.869 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 110.82 2.67 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.659 2.239 . . . . 0.0 112.311 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.511 HG23 ' CE1' ' A' ' 38' ' ' TYR . 14.3 m -60.87 -175.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.113 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -97.79 -55.73 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 39.4 p -141.89 140.63 32.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.521 ' CE2' ' HA2' ' A' ' 56' ' ' GLY . 73.8 m-85 -97.19 126.69 42.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -94.99 100.82 12.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.839 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.2 mt -100.79 134.93 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -132.44 111.73 11.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.468 HG22 ' CD1' ' A' ' 63' ' ' LEU . 62.9 t -97.63 130.97 45.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 67.8 p -145.97 161.16 40.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -165.1 157.43 13.58 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.534 0.683 . . . . 0.0 111.136 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 99.99 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.641 2.227 . . . . 0.0 112.321 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 99.95 27.0 8.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.553 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.76 152.04 61.57 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.627 0.727 . . . . 0.0 111.078 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.63 146.44 61.03 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.391 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 139.9 41.44 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.667 2.245 . . . . 0.0 112.312 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.1 tp -122.55 128.4 50.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -124.68 132.75 53.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -149.3 174.45 12.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.089 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -150.73 159.52 44.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.4 t -157.32 144.08 13.31 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.517 0.675 . . . . 0.0 111.169 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 144.0 52.65 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.717 2.278 . . . . 0.0 112.334 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.521 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -39.66 -45.47 2.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 56' ' ' GLY . 66.8 m -35.04 -40.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.895 0.378 . . . . 0.0 110.849 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.78 146.04 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.1 m -124.0 19.79 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -168.44 143.25 3.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.977 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -132.08 96.69 19.45 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.686 0.755 . . . . 0.0 110.967 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.492 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 54.0 Cg_endo -69.73 109.03 2.2 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.331 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.468 ' CD1' HG22 ' A' ' 42' ' ' VAL . 2.8 mt -86.59 132.17 33.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -120.39 172.98 7.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.3 t0 68.17 44.67 1.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.7 mp -109.04 145.29 35.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.0 t -71.59 128.06 34.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.483 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -64.86 169.99 4.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.438 ' C ' ' O ' ' A' ' 68' ' ' LEU . 9.7 m-70 34.98 50.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.8 m -146.5 133.06 19.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -74.47 114.96 13.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -111.44 125.78 54.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 78.1 m -101.78 123.22 45.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.078 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.405 ' CB ' HD22 ' A' ' 26' ' ' LEU . . . -109.98 152.39 25.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.056 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 39.1 m -134.87 106.35 6.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.081 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.432 HG12 ' N ' ' A' ' 77' ' ' ARG . 29.0 t -94.37 146.46 6.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.478 ' NE ' HD22 ' A' ' 84' ' ' LEU . 20.7 mtt180 -142.41 168.64 19.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -126.31 110.78 1.31 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -82.9 95.69 8.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.805 0.335 . . . . 0.0 110.94 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.546 ' CZ ' ' CB ' ' A' ' 9' ' ' ASP . 23.0 mtm180 -107.33 93.79 4.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.82 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.31 -149.08 51.14 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.501 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 5.11 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.644 2.23 . . . . 0.0 112.318 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -125.36 164.86 19.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.478 HD22 ' NE ' ' A' ' 77' ' ' ARG . 8.2 tp -124.4 155.96 37.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.441 ' N ' ' HG ' ' A' ' 84' ' ' LEU . 2.0 p -96.51 171.3 8.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.174 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 55.4 m -66.33 130.68 94.24 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.743 0.782 . . . . 0.0 110.79 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 147.35 62.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.73 2.287 . . . . 0.0 112.341 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -131.57 115.62 16.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.8 t -117.17 154.18 31.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.863 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.434 HG12 ' N ' ' A' ' 91' ' ' THR . 17.7 tt -147.59 159.65 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.112 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.434 ' N ' HG12 ' A' ' 90' ' ' ILE . 4.7 m -105.92 131.63 53.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -155.77 132.24 10.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.6 m -80.22 145.5 32.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.9 p -94.84 22.68 6.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -144.76 -64.4 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.521 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 95' ' ' GLY . 1.2 pt? 36.0 46.72 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.804 0.335 . . . . 0.0 110.954 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -128.18 70.97 1.36 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -171.38 145.54 1.82 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.558 0.694 . . . . 0.0 111.147 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -7.64 21.57 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.742 2.295 . . . . 0.0 112.335 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 101' ' ' ASP . 12.8 ptp180 -43.46 -42.48 4.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.449 ' N ' ' HG3' ' A' ' 100' ' ' ARG . 3.9 t0 -124.19 -67.4 0.92 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.0 mp -57.06 108.74 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -101.07 146.61 27.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.76 162.63 1.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -87.73 136.61 32.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -54.06 152.67 5.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.5 p -97.93 132.43 42.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.089 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.9 t -43.9 138.39 3.24 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.586 0.708 . . . . 0.0 111.137 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 111.22 2.74 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.681 2.254 . . . . 0.0 112.305 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.422 ' C ' ' HD3' ' A' ' 112' ' ' PRO . 33.5 p -67.48 141.67 56.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -111.47 62.95 0.28 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.442 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.422 ' HD3' ' C ' ' A' ' 110' ' ' SER . 54.0 Cg_endo -69.77 132.13 22.67 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.727 2.285 . . . . 0.0 112.328 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.4 t -90.75 164.18 14.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.844 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 88.4 p -163.52 176.56 9.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.825 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.469 -179.964 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 t -174.43 148.83 1.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 110.918 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 t -118.26 -47.53 2.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.67 -144.56 17.56 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.441 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.0 t -119.64 43.5 2.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.372 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.8 t -115.01 107.88 15.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.24 -83.13 0.2 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.435 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 118.5 5.72 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.663 2.242 . . . . 0.0 112.313 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.413 ' C ' HG23 ' A' ' 85' ' ' THR . 3.5 m-20 -106.7 20.21 19.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.26 -170.18 23.05 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.394 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 131.89 22.19 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.344 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.8 p -136.65 175.28 9.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 54.99 37.83 29.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 28' ' ' TRP . 6.2 tp -60.07 121.5 12.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -119.1 158.57 25.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.9 105.89 17.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.062 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.525 HD12 ' CD2' ' A' ' 27' ' ' HIS . 12.5 mt -71.31 171.1 11.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -70.95 106.66 3.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.838 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.2 mp -62.88 117.1 5.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.501 ' O ' ' N ' ' A' ' 22' ' ' GLY . 1.9 m -55.57 169.38 0.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 20' ' ' THR . 2.8 pp20? -37.02 -28.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 20' ' ' THR . . . -169.6 39.34 0.2 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.452 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 62' ' ' PRO . 1.7 t80 -137.61 108.01 6.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.94 0.4 . . . . 0.0 110.85 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.22 127.16 45.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.077 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 m -134.56 159.41 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.2 mt -99.86 150.71 22.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.525 ' CD2' HD12 ' A' ' 17' ' ' LEU . 1.9 t-80 -130.21 119.74 23.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.865 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.601 ' CZ2' ' CD2' ' A' ' 38' ' ' TYR . 1.8 p90 -128.41 153.38 47.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -91.98 124.83 58.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.586 0.708 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 123.29 9.95 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.691 2.261 . . . . 0.0 112.352 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.2 Cg_endo -69.74 160.0 51.32 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.589 2.193 . . . . 0.0 112.326 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 31' ' ' PRO . 56.3 tt0 -36.41 -41.6 0.29 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -109.01 122.42 39.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.588 0.708 . . . . 0.0 110.962 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 115.86 4.3 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.723 2.282 . . . . 0.0 112.278 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.542 HG22 ' CE1' ' A' ' 38' ' ' TYR . 35.2 m -63.62 180.0 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -89.63 -58.29 2.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 31.0 p -140.98 144.94 35.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.601 ' CD2' ' CZ2' ' A' ' 28' ' ' TRP . 68.6 m-85 -98.28 130.11 44.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -94.85 102.78 14.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.412 HG22 ' N ' ' A' ' 41' ' ' GLN . 16.8 mt -106.0 136.18 41.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.412 ' N ' HG22 ' A' ' 40' ' ' ILE . 27.1 tt0 -137.94 118.44 13.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.5 t -106.73 132.85 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.1 p -144.86 163.49 33.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.564 ' HB1' ' CE1' ' A' ' 72' ' ' TYR . . . -161.06 152.47 15.97 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.587 0.708 . . . . 0.0 111.057 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 81.68 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 128.2 -7.84 6.72 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.511 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -110.53 154.74 42.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.524 0.678 . . . . 0.0 111.139 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.91 152.48 68.56 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.698 2.265 . . . . 0.0 112.302 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 138.22 37.57 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.685 2.257 . . . . 0.0 112.4 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.6 tp -125.61 130.44 51.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.94 136.44 53.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -151.4 150.07 30.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.079 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -132.76 159.21 40.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.56 147.52 15.53 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.658 0.742 . . . . 0.0 111.106 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 145.52 57.35 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.595 2.197 . . . . 0.0 112.34 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -44.56 -38.91 5.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.2 p -40.34 -29.47 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.345 . . . . 0.0 110.902 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -91.8 148.95 21.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.071 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.0 m -120.6 16.63 6.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.178 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -170.97 151.78 3.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -139.36 111.9 7.82 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-O 121.676 0.751 . . . . 0.0 110.94 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 23' ' ' PHE . 54.4 Cg_endo -69.78 116.2 4.45 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.65 2.233 . . . . 0.0 112.361 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.5 mt -95.52 104.63 16.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -93.82 176.03 6.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.2 t70 63.4 52.11 2.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 81.5 mt -116.19 109.07 16.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.7 t -42.13 134.89 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.157 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.412 HD11 ' N ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -80.8 152.89 28.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.956 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 13.3 m170 64.25 41.83 5.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.803 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 48.5 m -156.24 138.58 14.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -76.59 139.89 40.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.564 ' CE1' ' HB1' ' A' ' 44' ' ' ALA . 10.2 m-85 -130.57 129.87 43.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.1 m -99.42 123.7 43.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.16 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -115.89 137.58 51.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.6 m -126.81 118.05 23.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.557 HG12 ' CZ3' ' A' ' 28' ' ' TRP . 12.5 t -110.62 135.38 49.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.119 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 -130.13 169.44 15.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -114.11 132.67 10.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.502 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -98.09 101.12 12.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.818 0.342 . . . . 0.0 110.952 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 34.6 mtp180 -122.1 94.35 4.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 62.73 -152.44 45.64 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.444 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.77 3.87 2.53 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.687 2.258 . . . . 0.0 112.329 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -118.05 173.62 6.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.2 mt -128.99 156.91 43.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.413 HG23 ' C ' ' A' ' 9' ' ' ASP . 60.0 p -95.3 177.69 5.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 83.8 p -69.43 130.38 90.85 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.633 0.73 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.82 142.38 47.5 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.639 2.226 . . . . 0.0 112.337 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -133.42 115.65 15.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.048 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 74' ' ' ALA . 9.0 t -122.58 170.04 10.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 17.3 tt -161.05 150.71 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.126 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.75 125.52 45.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -140.33 144.86 36.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 44.7 m -99.5 144.78 28.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.173 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 95' ' ' GLY . 27.4 p -97.69 174.65 6.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 94' ' ' THR . . . 36.0 38.79 0.25 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.452 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.582 ' CD2' ' C ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -71.06 -13.31 61.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.797 0.332 . . . . 0.0 110.926 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.464 ' N ' HD11 ' A' ' 96' ' ' LEU . 12.0 pt-20 -58.96 -15.72 14.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.5 121.99 75.85 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.614 0.721 . . . . 0.0 111.071 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 80.91 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.706 2.271 . . . . 0.0 112.359 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 -133.96 81.4 1.92 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 52.57 34.12 14.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.1 tp -74.7 -56.37 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -82.38 163.42 21.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.92 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -129.67 91.7 3.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -74.61 158.51 33.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.62 133.86 46.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.0 p -126.07 133.61 68.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 29.7 p -112.08 139.16 22.11 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.532 0.682 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.8 145.4 56.81 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.685 2.256 . . . . 0.0 112.337 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 33.7 t -149.32 149.32 30.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.807 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 168.82 78.47 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 142.64 48.39 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.265 . . . . 0.0 112.311 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.8 p -142.62 127.31 18.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 91.3 p -82.61 -51.54 7.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.1 p -126.41 99.52 5.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.819 0.343 . . . . 0.0 110.817 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.9 p -48.31 -47.46 36.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.812 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.55 -168.22 16.37 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.442 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.4 t -137.84 108.55 6.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 0.0 110.848 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.6 m 53.48 31.96 13.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.24 133.87 8.15 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.397 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.462 ' HG3' ' CG2' ' A' ' 12' ' ' THR . 53.3 Cg_endo -69.81 -174.75 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.668 2.246 . . . . 0.0 112.364 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.465 ' HB2' ' CZ ' ' A' ' 80' ' ' ARG . 21.5 p-10 -98.27 -16.99 19.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.859 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.415 ' N ' ' HB ' ' A' ' 85' ' ' THR . . . -118.64 -170.33 14.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.491 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 132.49 23.49 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.637 2.225 . . . . 0.0 112.429 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.462 ' CG2' ' HG3' ' A' ' 8' ' ' PRO . 0.9 OUTLIER -140.77 173.49 11.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 -179.863 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 56.32 40.92 29.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 28' ' ' TRP . 8.3 tp -58.38 125.08 21.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 16' ' ' ALA . 23.0 tpt85 -113.97 150.0 34.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.424 ' N ' ' HG3' ' A' ' 15' ' ' ARG . . . -84.95 105.31 15.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.109 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.45 HD22 ' N ' ' A' ' 18' ' ' ASN . 2.4 tt -71.46 166.91 20.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.45 ' N ' HD22 ' A' ' 17' ' ' LEU . 52.5 t30 -70.91 109.48 5.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 mp -63.09 117.87 7.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.8 OUTLIER -60.55 165.83 3.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -38.54 -26.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 20' ' ' THR . . . -169.38 33.12 0.17 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.432 ' CZ ' ' HB2' ' A' ' 62' ' ' PRO . 1.7 t80 -139.55 108.42 5.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.871 0.367 . . . . 0.0 110.873 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.69 131.4 45.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -134.37 158.98 42.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.083 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.7 mt -99.08 160.94 13.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.919 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -141.1 118.77 11.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.458 ' HB3' ' CD1' ' A' ' 14' ' ' LEU . 1.9 p90 -129.29 154.03 47.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -87.76 117.42 68.47 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.539 0.685 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.71 119.91 6.79 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.677 2.252 . . . . 0.0 112.346 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 160.01 51.27 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.685 2.257 . . . . 0.0 112.348 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -44.88 -39.93 5.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.529 ' ND2' ' NH1' ' A' ' 80' ' ' ARG . 0.6 OUTLIER -97.31 109.46 49.97 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.606 0.717 . . . . 0.0 110.898 -179.913 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 111.83 2.91 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.74 2.293 . . . . 0.0 112.328 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.519 HG22 ' CE1' ' A' ' 38' ' ' TYR . 12.9 m -61.52 -177.03 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -96.19 -52.68 3.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.2 p -141.92 136.65 30.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.519 ' CE1' HG22 ' A' ' 35' ' ' VAL . 83.8 m-85 -95.85 129.58 43.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -97.05 115.26 27.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.968 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.428 HG23 ' N ' ' A' ' 41' ' ' GLN . 5.3 mp -113.63 136.29 50.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.165 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.428 ' N ' HG23 ' A' ' 40' ' ' ILE . 49.8 tt0 -130.17 115.04 16.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.0 t -105.65 127.16 60.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.086 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 44.6 p -141.76 163.84 31.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.101 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -161.67 165.44 16.38 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.59 0.71 . . . . 0.0 111.093 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 86.13 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.733 2.289 . . . . 0.0 112.326 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.44 -39.67 2.68 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.03 149.92 96.09 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.568 0.699 . . . . 0.0 111.167 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 150.31 67.96 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.604 2.203 . . . . 0.0 112.334 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.81 135.92 31.57 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.625 2.217 . . . . 0.0 112.363 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.1 tp -117.74 129.78 55.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -123.38 121.18 35.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.541 ' HB3' ' CE2' ' A' ' 61' ' ' TYR . . . -143.94 166.51 24.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.091 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -139.95 169.73 17.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -157.82 148.02 15.7 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.574 0.702 . . . . 0.0 111.088 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 151.14 68.9 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.605 2.203 . . . . 0.0 112.349 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.34 -17.76 40.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.0 t -75.17 5.23 5.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.812 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.54 147.73 38.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.0 m -123.47 19.34 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -169.41 141.45 2.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.541 ' CE2' ' HB3' ' A' ' 52' ' ' ALA . 15.0 t80 -125.1 98.5 35.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.638 0.733 . . . . 0.0 110.889 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.432 ' HB2' ' CZ ' ' A' ' 23' ' ' PHE . 54.3 Cg_endo -69.66 112.05 2.96 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 13.0 mt -97.53 131.39 44.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.2 p80 -118.92 178.43 4.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.14 51.39 4.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 44.2 mt -115.08 127.3 55.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 67.8 t -59.96 132.17 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.64 157.63 30.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 58.51 46.74 14.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.8 m -150.29 138.46 20.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -77.81 110.3 12.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -109.44 128.77 55.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 94.3 m -104.64 119.64 39.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.108 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -109.46 141.21 42.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.166 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.2 m -133.5 120.04 20.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.165 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.435 HG11 ' CE3' ' A' ' 28' ' ' TRP . 62.0 t -106.32 151.73 8.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 51.9 mtm-85 -142.18 171.29 14.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -123.91 126.31 6.13 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.444 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.444 HD12 ' CD2' ' A' ' 84' ' ' LEU . 4.5 mm? -96.79 102.62 14.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.791 0.329 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.529 ' NH1' ' ND2' ' A' ' 33' ' ' ASN . 26.8 mtm180 -121.89 94.05 4.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 67.15 -153.5 52.9 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.414 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.65 3.42 2.73 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.707 2.271 . . . . 0.0 112.365 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -120.02 175.47 5.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.444 ' CD2' HD12 ' A' ' 79' ' ' LEU . 4.0 mt -127.81 166.91 17.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.415 ' HB ' ' N ' ' A' ' 10' ' ' GLY . 59.0 p -105.96 177.99 4.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.144 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.3 m -71.22 129.37 89.23 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.739 0.78 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 149.26 66.05 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.684 2.256 . . . . 0.0 112.254 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -138.19 115.58 11.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.105 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.5 t -121.65 168.85 11.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.867 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 16.4 tt -157.51 156.47 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.066 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 14.7 m -109.24 114.54 28.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -130.63 154.04 48.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 35.3 m -107.29 127.53 53.63 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.076 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.8 p -83.99 168.68 15.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 43.19 47.55 6.63 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.498 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -80.47 0.98 31.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.716 0.294 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -69.21 91.97 0.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.77 143.92 48.43 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.559 0.695 . . . . 0.0 111.12 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.72 -3.18 11.46 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.667 2.245 . . . . 0.0 112.34 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -101.15 136.54 40.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -38.07 134.16 0.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.1 mt -112.34 82.54 1.65 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -168.92 152.57 5.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -102.76 99.87 9.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 31.7 pttt -144.77 130.21 18.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -96.66 92.32 6.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.835 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 86.0 t -93.46 103.99 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.153 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 18.7 m -90.2 121.84 68.2 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.504 0.668 . . . . 0.0 111.14 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 165.36 31.27 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.751 2.301 . . . . 0.0 112.259 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 60.5 p -174.57 167.45 3.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -154.99 140.83 7.66 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.522 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 149.72 67.49 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.66 2.24 . . . . 0.0 112.39 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.5 m -104.63 135.74 45.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.9 t -91.66 158.04 16.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.486 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -54.51 92.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.874 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m -140.71 155.69 46.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.46 -91.04 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.7 m -54.18 157.03 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.1 m -49.2 166.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.58 78.19 0.29 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.418 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.444 ' CG ' HG21 ' A' ' 12' ' ' THR . 53.1 Cg_endo -69.88 169.86 18.08 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 0.0 112.306 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.441 ' OD2' ' NH2' ' A' ' 80' ' ' ARG . 0.9 OUTLIER -113.74 9.91 17.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.883 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -116.83 -164.57 13.6 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.525 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 124.52 11.18 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.781 2.321 . . . . 0.0 112.306 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.444 HG21 ' CG ' ' A' ' 8' ' ' PRO . 82.3 p -127.26 172.48 10.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.165 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 56.56 38.18 29.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.461 HD23 ' CG2' ' A' ' 90' ' ' ILE . 6.6 tp -62.52 128.87 38.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.8 ttm-85 -141.5 164.23 30.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -123.82 105.38 9.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.072 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mp -72.49 157.26 37.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -78.82 89.65 4.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.841 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.493 ' CD2' ' C ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -93.05 166.75 12.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.6 t -44.88 118.01 1.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.15 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.52 94.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.13 -56.69 0.29 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.486 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.544 ' CZ ' ' HB2' ' A' ' 62' ' ' PRO . 4.7 t80 -113.8 107.95 16.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.911 0.386 . . . . 0.0 110.867 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.566 ' HB3' ' CE2' ' A' ' 92' ' ' PHE . . . -100.02 145.54 27.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -135.0 163.33 36.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.4 mt -94.08 149.53 21.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.964 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -134.91 118.92 17.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.823 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.517 ' CE3' HG12 ' A' ' 76' ' ' VAL . 1.9 p90 -129.37 153.95 47.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -92.92 121.77 65.14 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.56 0.695 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 121.17 7.86 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.712 2.274 . . . . 0.0 112.331 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.0 Cg_endo -69.75 161.85 44.33 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.703 2.269 . . . . 0.0 112.352 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 31' ' ' PRO . 0.5 OUTLIER -34.32 -54.66 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.46 121.72 54.02 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.605 0.717 . . . . 0.0 110.842 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 120.24 7.05 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.783 2.322 . . . . 0.0 112.327 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.593 ' CG2' ' CE1' ' A' ' 38' ' ' TYR . 5.0 m -62.06 -178.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -87.94 -59.19 2.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.1 p -141.93 145.31 34.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.092 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.593 ' CE1' ' CG2' ' A' ' 35' ' ' VAL . 76.4 m-85 -100.24 130.64 46.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -96.94 106.5 18.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.428 HG21 ' N ' ' A' ' 41' ' ' GLN . 5.1 mp -106.26 136.05 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.428 ' N ' HG21 ' A' ' 40' ' ' ILE . 20.2 tt0 -137.01 117.22 13.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.467 HG22 ' CD2' ' A' ' 63' ' ' LEU . 82.3 t -109.26 130.23 62.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.2 p -146.72 174.86 11.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.198 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -168.78 159.58 8.22 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.588 0.709 . . . . 0.0 111.129 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -9.29 25.75 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.741 2.294 . . . . 0.0 112.299 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -147.09 37.11 1.18 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.48 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.65 154.9 35.73 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.569 0.7 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 147.32 62.24 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 145.35 57.13 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.723 2.282 . . . . 0.0 112.344 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.7 tp -130.07 135.1 47.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -132.75 128.69 37.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -150.8 172.07 16.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -147.98 155.04 41.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.42 HG22 ' CD2' ' A' ' 61' ' ' TYR . 0.1 OUTLIER -148.66 151.8 36.49 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.604 0.716 . . . . 0.0 111.105 -179.869 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 148.51 65.34 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.695 2.264 . . . . 0.0 112.329 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.554 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -51.31 -34.3 33.08 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.53 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 t -52.39 -17.88 1.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.823 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.4 152.22 22.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.2 m -128.89 14.56 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.154 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -171.03 148.0 2.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.42 ' CD2' HG22 ' A' ' 54' ' ' THR . 33.5 t80 -138.69 106.08 7.59 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.645 0.736 . . . . 0.0 110.961 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.544 ' HB2' ' CZ ' ' A' ' 23' ' ' PHE . 54.0 Cg_endo -69.77 134.2 27.38 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.652 2.234 . . . . 0.0 112.32 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.467 ' CD2' HG22 ' A' ' 42' ' ' VAL . 14.8 mt -104.93 136.81 43.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -122.02 177.17 5.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.815 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 63.25 41.44 7.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.6 mp -109.9 137.41 47.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 68' ' ' LEU . 86.5 t -78.39 117.6 24.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 67' ' ' VAL . 0.6 OUTLIER -34.66 -74.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.963 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -76.51 69.69 2.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 65.9 m -163.95 135.34 4.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -85.17 127.19 34.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -119.16 125.64 49.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 45.8 m -103.34 118.9 37.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.085 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -106.51 142.43 36.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.049 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.5 m -124.35 109.24 13.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.517 HG12 ' CE3' ' A' ' 28' ' ' TRP . 21.2 t -96.4 139.48 19.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 19.3 mtt85 -140.14 152.74 46.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -107.44 121.62 6.54 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.529 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -87.8 105.24 17.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.753 0.311 . . . . 0.0 110.992 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.441 ' NH2' ' OD2' ' A' ' 9' ' ' ASP . 21.6 mmm-85 -122.01 95.15 4.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 61.6 -152.34 42.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.567 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 3.75 2.58 Favored 'Trans proline' 0 N--CA 1.465 -0.199 0 C-N-CA 122.676 2.251 . . . . 0.0 112.369 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -117.55 176.35 5.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.957 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.5 mt -128.73 160.89 31.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.422 HG21 ' C ' ' A' ' 9' ' ' ASP . 38.6 p -102.66 176.0 5.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 49.8 m -68.43 123.6 87.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.646 0.736 . . . . 0.0 110.875 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.78 144.39 53.77 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.637 2.225 . . . . 0.0 112.332 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -126.99 116.75 21.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 29.5 t -117.52 158.17 25.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.461 ' CG2' HD23 ' A' ' 14' ' ' LEU . 7.0 tt -158.84 152.48 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.43 ' N ' HG12 ' A' ' 90' ' ' ILE . 0.7 OUTLIER -109.39 117.77 34.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 24' ' ' ALA . 41.1 p90 -130.78 124.34 31.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.2 m -79.6 140.21 37.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.105 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.0 p -97.46 26.4 4.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.084 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -152.17 31.27 0.88 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 14.3 tp -78.73 52.01 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -67.9 -22.63 65.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -123.41 163.99 30.87 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.645 0.736 . . . . 0.0 111.052 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 100' ' ' ARG . 53.5 Cg_endo -69.79 -173.73 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.677 2.251 . . . . 0.0 112.31 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.416 ' HB3' ' NH1' ' A' ' 100' ' ' ARG . 4.3 ptp180 -36.77 -40.87 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -92.64 95.07 9.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 30.2 mt -84.59 -30.01 25.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -124.1 102.83 7.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -139.75 -176.39 4.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.52 150.83 28.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.401 ' C ' HG23 ' A' ' 107' ' ' VAL . 20.4 mm-40 -126.42 160.43 30.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.401 HG23 ' C ' ' A' ' 106' ' ' GLU . 89.4 t -154.55 118.6 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 66.6 m -108.41 124.37 34.71 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.604 0.716 . . . . 0.0 111.112 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -177.64 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.715 2.276 . . . . 0.0 112.346 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.4 p -161.29 144.41 12.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.847 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 171.37 83.68 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 174.26 9.8 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.6 t -172.22 153.07 2.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 35.6 p -173.3 149.55 1.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.515 179.939 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 t -89.22 91.44 8.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.853 0.359 . . . . 0.0 110.863 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.1 p -89.09 142.01 28.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.99 132.5 3.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -62.16 -45.85 91.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.872 0.368 . . . . 0.0 110.837 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -123.52 75.34 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.26 146.21 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.402 ' CB ' ' HB2' ' A' ' 86' ' ' SER . 53.9 Cg_endo -69.8 -164.53 0.13 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.667 2.244 . . . . 0.0 112.396 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.446 ' HB3' ' ND2' ' A' ' 33' ' ' ASN . 25.7 m-20 -118.01 26.39 9.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.82 -155.93 7.19 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.51 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.42 ' CB ' ' HB2' ' A' ' 28' ' ' TRP . 54.5 Cg_endo -69.69 122.81 9.51 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.712 2.275 . . . . 0.0 112.387 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.3 p -126.48 177.11 6.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 51.18 36.12 15.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.407 HD22 ' CG2' ' A' ' 90' ' ' ILE . 5.8 tp -57.94 112.39 1.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.7 mtt180 -113.74 151.5 31.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.8 113.46 22.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.485 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 5.3 tp -72.17 157.93 36.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -71.68 121.18 18.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.798 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 mp -62.95 152.43 36.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 t -121.63 84.41 2.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 67.08 51.14 0.96 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.3 54.61 3.98 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.464 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 62' ' ' PRO . 4.9 t80 -139.27 107.73 5.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.905 0.383 . . . . 0.0 110.854 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.2 116.88 33.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.122 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -126.35 152.86 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.2 mt -96.25 151.22 19.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.485 ' CD2' ' HB2' ' A' ' 17' ' ' LEU . 4.3 m-70 -137.66 120.32 16.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.554 ' CZ2' ' CD2' ' A' ' 38' ' ' TYR . 2.2 p90 -129.25 154.21 47.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -94.28 125.71 51.21 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.614 0.721 . . . . 0.0 110.884 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 111.91 2.93 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.628 2.219 . . . . 0.0 112.363 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 167.72 23.58 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.249 . . . . 0.0 112.359 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -48.9 -51.26 30.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.446 ' ND2' ' HB3' ' A' ' 9' ' ' ASP . 5.8 p30 -72.16 111.83 12.29 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.598 0.713 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.77 113.98 3.55 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.653 2.235 . . . . 0.0 112.33 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.57 HG22 ' CE1' ' A' ' 38' ' ' TYR . 23.1 m -75.85 179.76 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.09 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -107.48 -55.96 2.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.0 p -142.4 139.74 31.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.098 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.57 ' CE1' HG22 ' A' ' 35' ' ' VAL . 84.6 m-85 -96.05 129.83 43.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -95.94 103.03 14.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.1 mp -98.88 132.79 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.139 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -132.36 117.07 17.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.4 t -110.09 132.27 58.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 38.6 p -143.86 172.17 13.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.109 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.509 ' HB1' ' CD1' ' A' ' 72' ' ' TYR . . . -169.32 150.54 4.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.555 0.693 . . . . 0.0 111.176 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 82.26 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.723 2.282 . . . . 0.0 112.341 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 125.17 -17.67 7.05 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.439 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -98.45 154.6 37.49 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.566 0.698 . . . . 0.0 111.102 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 150.15 67.85 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.755 2.303 . . . . 0.0 112.343 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 148.82 65.96 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.676 2.251 . . . . 0.0 112.397 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.1 tp -133.32 132.39 41.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.44 ' C ' ' CD ' ' A' ' 51' ' ' GLN . 8.9 tm0? -124.97 135.6 52.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -155.47 145.13 21.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.045 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -125.07 161.11 27.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -156.24 139.9 11.29 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.59 0.709 . . . . 0.0 111.177 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 151.98 69.36 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.733 2.289 . . . . 0.0 112.33 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 58' ' ' ALA . . . -45.0 -45.92 9.39 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.518 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.8 p -39.36 -25.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.937 0.399 . . . . 0.0 110.927 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 56' ' ' GLY . . . -93.03 143.94 25.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.105 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.3 m -123.47 17.3 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.7 p30 -171.23 149.43 2.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -139.89 107.07 6.9 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.673 0.749 . . . . 0.0 110.893 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 23' ' ' PHE . 53.4 Cg_endo -69.72 122.9 9.59 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.668 2.245 . . . . 0.0 112.364 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.0 mt -97.99 112.49 24.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -108.2 167.93 9.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.6 t70 70.95 44.32 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 36.0 mt -112.19 137.45 50.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 68' ' ' LEU . 98.2 t -66.49 134.57 29.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.076 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.427 ' N ' HG13 ' A' ' 67' ' ' VAL . 0.2 OUTLIER -75.06 162.89 28.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 50.48 43.57 27.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 59.5 m -144.93 127.47 16.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.157 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -71.93 98.18 1.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.509 ' CD1' ' HB1' ' A' ' 44' ' ' ALA . 11.7 m-85 -93.67 121.35 35.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.7 m -95.35 123.46 38.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.062 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -112.08 153.42 26.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.055 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.2 m -137.78 116.64 12.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.43 HG12 ' CZ3' ' A' ' 28' ' ' TRP . 45.0 t -109.38 142.52 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.409 ' N ' HG11 ' A' ' 76' ' ' VAL . 24.0 mtt180 -138.7 179.86 6.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -129.53 128.71 5.81 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.46 ' N ' HD21 ' A' ' 79' ' ' LEU . 4.3 mm? -87.58 92.65 9.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.773 0.32 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -112.85 97.1 6.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.813 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.4 -147.89 50.97 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 3.1 2.96 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.728 2.285 . . . . 0.0 112.308 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -133.37 174.94 9.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.954 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.5 mp -123.25 166.17 15.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.938 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 19.5 p -86.19 178.48 7.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.197 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.402 ' HB2' ' CB ' ' A' ' 8' ' ' PRO . 23.0 m -66.47 132.49 94.26 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.664 0.745 . . . . 0.0 110.873 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 137.18 34.72 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.715 2.277 . . . . 0.0 112.295 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -125.8 115.57 20.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.7 t -117.5 149.7 40.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.407 ' CG2' HD22 ' A' ' 14' ' ' LEU . 17.6 tt -145.85 147.98 17.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.158 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.1 m -101.92 118.44 36.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -136.21 133.91 37.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 88.6 m -84.47 132.12 34.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.3 p -89.05 151.14 22.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.179 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 42.42 85.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.471 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.43 57.86 3.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.783 0.325 . . . . 0.0 110.906 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -78.87 76.71 5.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.825 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -137.42 158.83 71.43 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.581 0.705 . . . . 0.0 111.09 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -163.93 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.709 2.272 . . . . 0.0 112.304 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 66.5 mtm180 -75.81 55.48 0.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -114.91 -42.2 3.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 18.9 mt -50.94 -46.05 60.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -105.31 175.69 5.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -161.81 138.09 8.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.212 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 43.3 pttt -115.77 176.82 4.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -160.59 137.18 8.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.49 HG23 ' N ' ' A' ' 108' ' ' THR . 12.4 p -129.0 143.46 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.093 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.49 ' N ' HG23 ' A' ' 107' ' ' VAL . 9.6 t -100.58 134.75 20.41 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.629 0.728 . . . . 0.0 111.171 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 174.53 9.37 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.661 2.24 . . . . 0.0 112.339 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.5 t -128.4 169.12 14.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 121.88 89.43 1.01 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.468 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -47.67 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.65 2.234 . . . . 0.0 112.355 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.3 p -172.92 173.63 3.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.7 t -173.62 129.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.913 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.483 -179.937 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t 42.02 43.3 2.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.887 0.375 . . . . 0.0 110.889 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -93.44 41.38 1.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.906 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.94 -142.54 17.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.469 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 p -42.58 -27.63 0.18 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.864 0.364 . . . . 0.0 110.849 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -84.89 80.28 9.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.64 -170.87 14.6 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.452 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 90.17 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.674 2.249 . . . . 0.0 112.378 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.454 ' HB3' ' ND2' ' A' ' 33' ' ' ASN . 40.6 m-20 -93.7 23.6 4.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.0 -165.05 18.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.548 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 141.88 46.54 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.7 2.266 . . . . 0.0 112.354 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.8 p -143.8 -179.64 6.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.145 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 53.39 29.35 8.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 28' ' ' TRP . 4.6 tp -60.38 139.96 57.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -154.46 155.69 35.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -119.68 107.93 13.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.419 ' O ' ' CD1' ' A' ' 19' ' ' LEU . 13.2 mt -82.88 166.87 18.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.7 p-10 -81.8 90.14 6.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.473 ' CD2' ' C ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -98.55 169.03 9.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 22' ' ' GLY . 9.9 t -38.24 120.06 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.108 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -58.2 79.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 20' ' ' THR . . . 178.31 -44.82 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.563 ' CE2' ' HB3' ' A' ' 64' ' ' HIS . 0.6 OUTLIER -127.47 108.02 10.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 110.845 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.99 143.25 30.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.107 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.403 ' CG1' ' HB3' ' A' ' 62' ' ' PRO . 2.3 m -127.54 162.79 32.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.5 mt -100.16 142.36 31.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -125.97 118.88 26.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.856 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.47 ' HB3' ' CD1' ' A' ' 14' ' ' LEU . 1.9 p90 -129.46 154.12 47.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.37 123.05 61.61 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.588 0.709 . . . . 0.0 110.923 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 115.23 3.99 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.702 2.268 . . . . 0.0 112.353 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 32' ' ' GLN . 54.3 Cg_endo -69.74 150.63 68.57 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.383 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 31' ' ' PRO . 8.5 tp-100 -34.26 -46.01 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.454 ' ND2' ' HB3' ' A' ' 9' ' ' ASP . 0.3 OUTLIER -92.57 106.78 19.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.62 0.724 . . . . 0.0 110.899 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 116.13 4.42 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.696 2.264 . . . . 0.0 112.383 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.554 HG21 ' CE1' ' A' ' 38' ' ' TYR . 27.0 m -65.15 -175.68 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.127 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -97.65 -53.19 3.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.814 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.0 p -140.76 137.24 33.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.554 ' CE1' HG21 ' A' ' 35' ' ' VAL . 84.7 m-85 -94.86 125.53 39.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -95.75 112.41 24.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.463 HG21 ' N ' ' A' ' 41' ' ' GLN . 19.9 mt -113.52 135.98 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.463 ' N ' HG21 ' A' ' 40' ' ' ILE . 19.6 tt0 -129.67 107.92 9.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.463 HG22 ' CD2' ' A' ' 63' ' ' LEU . 2.0 t -103.18 118.41 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.6 p -138.56 161.12 37.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.47 154.7 16.06 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.64 0.733 . . . . 0.0 111.09 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.87 95.23 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.595 2.197 . . . . 0.0 112.352 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.02 17.25 6.89 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.23 156.8 64.28 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.585 0.707 . . . . 0.0 111.138 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 158.15 57.93 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.647 2.231 . . . . 0.0 112.375 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 146.05 59.44 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.632 2.221 . . . . 0.0 112.352 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.491 ' C ' ' CD1' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -112.29 121.37 44.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.455 ' N ' ' CD1' ' A' ' 50' ' ' LEU . 4.6 tm0? -125.98 114.5 18.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -155.04 143.12 20.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -120.84 160.09 24.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.955 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.437 HG21 ' CD2' ' A' ' 61' ' ' TYR . 0.1 OUTLIER -145.5 152.28 49.16 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.595 0.712 . . . . 0.0 111.16 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 149.6 67.55 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.258 . . . . 0.0 112.308 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.482 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -59.49 -15.01 30.43 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.7 t -79.21 11.68 2.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.807 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -110.75 157.16 20.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.091 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.425 ' HA ' ' NE1' ' A' ' 28' ' ' TRP . 29.7 m -125.96 -7.95 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.171 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -154.24 150.36 27.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.437 ' CD2' HG21 ' A' ' 54' ' ' THR . 15.8 t80 -134.97 99.36 12.46 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.757 0.789 . . . . 0.0 110.877 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.462 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 53.8 Cg_endo -69.66 117.66 5.21 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.743 2.296 . . . . 0.0 112.338 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.463 ' CD2' HG22 ' A' ' 42' ' ' VAL . 4.4 mt -92.72 132.92 36.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.949 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.563 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 5.5 p80 -117.63 164.73 14.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.4 t0 71.17 47.34 0.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.2 mt -110.57 120.25 41.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 86.4 t -54.92 130.88 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.195 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.434 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 1.2 mm? -77.74 158.14 29.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 61.15 46.67 7.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.46 HG22 ' CD1' ' A' ' 72' ' ' TYR . 18.8 m -157.89 130.79 7.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -72.38 111.24 7.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.46 ' CD1' HG22 ' A' ' 70' ' ' THR . 6.8 m-85 -104.29 133.17 49.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 56.1 m -102.01 119.97 39.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.103 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -111.84 131.29 55.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.0 m -123.65 119.72 30.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.46 HG11 ' N ' ' A' ' 77' ' ' ARG . 24.8 t -105.99 145.52 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.46 ' N ' HG11 ' A' ' 76' ' ' VAL . 54.5 mtm-85 -138.96 168.03 20.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -120.85 134.84 10.44 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.444 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.415 HD22 ' N ' ' A' ' 79' ' ' LEU . 3.5 mm? -100.41 102.35 13.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.797 0.332 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -122.06 94.16 4.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.68 -152.88 50.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 3.54 2.7 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.783 2.322 . . . . 0.0 112.283 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -119.42 177.59 4.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.3 mt -128.46 164.98 21.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.422 HG22 ' C ' ' A' ' 9' ' ' ASP . 40.3 p -102.31 176.53 5.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 82.6 p -69.21 124.13 89.76 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.683 0.754 . . . . 0.0 110.918 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 138.91 39.03 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.742 2.294 . . . . 0.0 112.386 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -122.8 115.66 22.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.9 t -108.22 152.69 24.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.837 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.485 HG13 ' N ' ' A' ' 91' ' ' THR . 1.4 tp -142.21 139.72 29.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.13 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.485 ' N ' HG13 ' A' ' 90' ' ' ILE . 34.0 m -109.55 110.02 20.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.158 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -135.84 155.64 50.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.405 HG22 ' N ' ' A' ' 94' ' ' THR . 57.6 m -99.72 138.51 36.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.405 ' N ' HG22 ' A' ' 93' ' ' THR . 11.5 p -77.13 -54.35 6.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -94.72 130.03 10.14 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.454 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.425 HD11 ' CD1' ' A' ' 102' ' ' LEU . 21.3 tp -116.67 14.24 15.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.76 0.314 . . . . 0.0 110.938 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -59.07 116.4 3.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -170.45 154.35 4.67 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.619 0.723 . . . . 0.0 111.046 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -164.45 0.13 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.69 2.26 . . . . 0.0 112.401 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -74.24 62.47 0.94 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -130.57 -47.13 1.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.425 ' CD1' HD11 ' A' ' 96' ' ' LEU . 12.5 mt -41.95 -44.8 3.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -87.77 176.08 7.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 105' ' ' LYS . . . -123.15 44.59 2.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 104' ' ' ALA . 13.3 tptp 37.8 53.11 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.463 ' O ' ' CD ' ' A' ' 106' ' ' GLU . 2.8 pp20? -48.18 109.8 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 49.5 t -118.92 140.37 43.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.22 135.01 28.8 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.522 0.677 . . . . 0.0 111.154 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 144.55 54.81 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.672 2.248 . . . . 0.0 112.334 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.8 t -79.95 172.4 13.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -111.1 83.37 0.32 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.439 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 152.87 69.63 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.68 2.253 . . . . 0.0 112.357 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 92.9 p -126.78 139.22 53.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.9 t -117.2 163.64 15.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 -179.936 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.7 t -126.99 81.88 2.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 110.88 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -49.62 129.93 20.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.96 82.86 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.1 p -48.35 142.5 5.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.796 0.332 . . . . 0.0 110.889 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.4 m -108.92 97.36 7.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.825 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.96 69.21 0.41 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.424 ' CG ' HG22 ' A' ' 12' ' ' THR . 54.4 Cg_endo -69.69 -163.84 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.678 2.252 . . . . 0.0 112.378 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.423 ' C ' HG21 ' A' ' 85' ' ' THR . 4.3 m-20 -123.81 -10.46 7.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.96 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -107.02 -166.75 22.27 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.446 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 138.66 38.43 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.644 2.229 . . . . 0.0 112.383 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.424 HG22 ' CG ' ' A' ' 8' ' ' PRO . 48.7 p -137.29 174.05 11.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 49.99 35.92 10.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.468 HD21 ' CG2' ' A' ' 90' ' ' ILE . 8.8 tp -58.1 130.49 46.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -135.93 -178.92 5.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.18 104.94 7.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.128 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.506 HD12 ' CE1' ' A' ' 27' ' ' HIS . 1.8 pt? -74.69 171.24 14.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.823 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -70.64 85.06 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.495 HD23 ' N ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -74.89 163.42 27.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 47.9 p -48.65 172.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -82.55 45.22 0.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.86 -54.35 0.16 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.472 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.487 ' CE1' ' HB2' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -85.23 108.39 17.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.923 0.392 . . . . 0.0 110.93 -179.893 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.86 148.2 24.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -135.03 163.77 35.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.434 HD22 ' CB ' ' A' ' 74' ' ' ALA . 20.6 mt -101.48 141.4 34.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.94 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.506 ' CE1' HD12 ' A' ' 17' ' ' LEU . 3.4 m170 -125.81 119.15 27.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.761 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.485 ' CZ2' ' CD2' ' A' ' 38' ' ' TYR . 1.7 p90 -129.25 149.03 51.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -90.57 122.56 66.99 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.599 0.714 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 123.61 10.27 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.68 2.253 . . . . 0.0 112.334 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.7 Cg_endo -69.78 163.84 36.78 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.377 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 31' ' ' PRO . 6.3 tt0 -37.6 -48.08 0.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.425 ' ND2' ' CZ ' ' A' ' 80' ' ' ARG . 0.7 OUTLIER -104.38 121.43 47.38 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.591 0.71 . . . . 0.0 110.923 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.63 129.09 17.13 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.703 2.269 . . . . 0.0 112.356 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.553 HG22 ' CE1' ' A' ' 38' ' ' TYR . 33.2 m -71.52 -174.87 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.174 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -95.62 -57.76 2.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.1 p -140.7 142.93 34.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.108 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.553 ' CE1' HG22 ' A' ' 35' ' ' VAL . 71.5 m-85 -99.66 126.39 45.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -95.43 97.05 9.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' ' 41' ' ' GLN . 5.2 mp -97.31 138.83 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.443 ' N ' HG22 ' A' ' 40' ' ' ILE . 58.4 tt0 -137.92 109.58 7.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.459 HG22 ' CD1' ' A' ' 63' ' ' LEU . 96.1 t -99.94 127.35 52.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.8 p -146.75 168.52 21.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.212 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -173.68 154.64 2.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.575 0.702 . . . . 0.0 111.098 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 107.73 1.93 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.644 2.229 . . . . 0.0 112.342 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.77 20.23 37.78 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.18 152.69 75.77 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.538 0.685 . . . . 0.0 111.095 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 132.37 23.19 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.398 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.64 147.17 63.07 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.67 2.246 . . . . 0.0 112.312 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.456 HD13 ' N ' ' A' ' 51' ' ' GLN . 3.5 tp -132.98 130.56 39.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.456 ' N ' HD13 ' A' ' 50' ' ' LEU . 60.0 tt0 -130.95 140.4 50.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.44 ' CB ' ' OH ' ' A' ' 61' ' ' TYR . . . -159.16 177.96 10.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -145.86 159.53 43.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.2 t -156.51 144.46 14.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.58 0.705 . . . . 0.0 111.203 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.75 146.28 59.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.651 2.234 . . . . 0.0 112.342 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.443 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -42.58 -40.18 3.7 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.465 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' GLY . 3.7 m -37.61 -32.49 0.05 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.902 0.382 . . . . 0.0 110.923 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 56' ' ' GLY . . . -87.44 150.43 23.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.048 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.2 m -125.94 16.42 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -166.89 146.64 5.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.44 ' OH ' ' CB ' ' A' ' 52' ' ' ALA . 11.6 t80 -132.22 99.25 16.31 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.691 0.758 . . . . 0.0 111.002 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.487 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 54.0 Cg_endo -69.72 129.02 16.91 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.459 ' CD1' HG22 ' A' ' 42' ' ' VAL . 4.3 mt -111.36 136.48 50.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -120.14 178.2 4.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.816 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 59.48 55.07 4.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.0 mt -124.9 123.98 41.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.1 t -58.51 113.54 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.149 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.04 -63.17 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.961 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -74.34 61.54 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.1 m -167.44 121.75 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -79.95 108.51 13.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -92.37 122.04 34.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.959 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 78.5 m -89.65 119.08 29.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.173 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.434 ' CB ' HD22 ' A' ' 26' ' ' LEU . . . -107.86 143.46 36.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.5 m -128.32 105.04 8.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.084 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.428 HG11 ' N ' ' A' ' 77' ' ' ARG . 24.8 t -91.53 144.11 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.474 ' HD2' ' CD1' ' A' ' 84' ' ' LEU . 49.2 mtm-85 -139.74 163.84 31.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -121.61 114.15 2.48 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.61 103.69 16.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.834 0.349 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.425 ' CZ ' ' ND2' ' A' ' 33' ' ' ASN . 45.5 mtp180 -121.73 96.83 5.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 67.26 -152.7 52.8 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 2.93 3.08 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.616 2.211 . . . . 0.0 112.379 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -121.06 162.9 19.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.474 ' CD1' ' HD2' ' A' ' 77' ' ' ARG . 7.9 tp -120.32 151.5 39.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.423 HG21 ' C ' ' A' ' 9' ' ' ASP . 33.7 p -91.39 168.24 11.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.1 p -66.41 128.77 94.02 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 121.637 0.732 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 152.68 69.26 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.67 2.246 . . . . 0.0 112.322 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -139.12 115.52 10.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.5 t -114.16 167.98 10.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.828 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.468 ' CG2' HD21 ' A' ' 14' ' ' LEU . 11.8 tt -162.48 147.97 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.134 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 5.5 m -100.33 119.95 39.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.148 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -138.96 130.12 26.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.44 142.63 32.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.3 p -94.89 17.72 13.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -146.93 -40.72 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.8 tp -77.36 47.0 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 110.93 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -106.28 -75.02 0.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -128.22 73.03 79.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.651 0.738 . . . . 0.0 111.175 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.465 ' CG ' ' HG ' ' A' ' 102' ' ' LEU . 52.7 Cg_endo -69.76 -166.34 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.698 2.265 . . . . 0.0 112.318 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -118.43 -34.65 3.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -101.2 -64.0 1.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.465 ' HG ' ' CG ' ' A' ' 99' ' ' PRO . 0.3 OUTLIER -64.02 78.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -92.59 -65.52 0.99 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.19 138.91 58.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -92.46 -34.85 13.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -143.09 132.68 23.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.8 p -107.92 126.67 64.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.169 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.0 p -114.61 146.42 35.94 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.599 0.714 . . . . 0.0 111.158 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 110' ' ' SER . 53.8 Cg_endo -69.75 134.62 28.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.324 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 109' ' ' PRO . 18.9 p -35.68 127.1 0.66 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -85.61 -152.02 17.75 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 139.98 41.51 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.592 2.194 . . . . 0.0 112.376 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.5 t -146.43 169.23 19.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.801 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 67.2 m -43.65 160.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.782 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.512 -179.913 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.455 ' HB2' HG22 ' A' ' 85' ' ' THR . 65.6 m-20 . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.949 0.404 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.89 -177.65 20.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.438 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.431 ' HG3' HG12 ' A' ' 76' ' ' VAL . 53.9 Cg_endo -69.74 137.01 34.52 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.656 2.237 . . . . 0.0 112.344 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.7 p -140.58 173.43 11.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.174 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 55.21 40.14 31.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.875 HD23 ' CG2' ' A' ' 90' ' ' ILE . 6.2 tp -58.71 125.21 22.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.977 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.416 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 47.5 ttt85 -122.93 154.86 37.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.921 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.416 ' N ' ' HG2' ' A' ' 15' ' ' ARG . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.44 ' HB1' ' CE1' ' A' ' 92' ' ' PHE . . . . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.813 0.34 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.418 ' CG1' ' HB3' ' A' ' 62' ' ' PRO . 1.8 m -134.6 164.87 32.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.177 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.1 mt -104.38 151.67 23.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -138.34 118.99 13.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.598 ' CE3' HG11 ' A' ' 76' ' ' VAL . 2.3 p90 -127.75 153.76 46.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -93.68 124.06 58.03 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.554 0.692 . . . . 0.0 110.891 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 125.8 12.63 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.682 2.255 . . . . 0.0 112.357 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 32' ' ' GLN . 54.3 Cg_endo -69.83 166.09 28.86 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 31' ' ' PRO . 18.5 tp60 -37.28 -45.47 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.953 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.64 123.26 35.2 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.668 0.746 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 141.68 45.52 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.311 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.765 HG12 ' CG ' ' A' ' 80' ' ' ARG . 9.5 m -85.38 -176.0 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -97.05 -49.91 4.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.823 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.2 p -142.11 139.24 32.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.166 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.695 ' CE1' HG21 ' A' ' 35' ' ' VAL . 94.6 m-85 -101.33 126.46 48.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -94.99 113.81 25.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.458 HG13 HG22 ' A' ' 76' ' ' VAL . 4.5 mp -112.2 136.53 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -130.45 113.93 14.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.8 t -104.77 126.61 59.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.1 p -146.98 160.67 42.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.66 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -159.97 162.56 24.25 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.622 0.725 . . . . 0.0 111.052 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.655 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.8 Cg_endo -69.74 88.4 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.723 2.282 . . . . 0.0 112.4 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.32 -38.01 3.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.66 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -70.05 151.87 95.97 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.616 0.722 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 147.96 64.0 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 143.17 49.85 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.692 2.261 . . . . 0.0 112.286 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.6 tp -129.8 130.11 44.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -127.3 136.19 51.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.561 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -156.22 177.02 11.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.091 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -150.09 156.25 41.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.658 HG23 ' HB2' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -141.67 147.55 46.14 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.555 0.693 . . . . 0.0 111.132 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 146.47 60.29 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.68 2.253 . . . . 0.0 112.315 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.63 -16.59 5.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.494 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 92.4 p -81.9 17.21 1.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 110.879 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.25 140.93 51.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.002 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.8 m -121.75 25.53 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -169.39 138.37 1.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.561 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 11.2 t80 -132.9 96.44 17.99 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.639 0.733 . . . . 0.0 110.965 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.418 ' HB3' ' CG1' ' A' ' 25' ' ' VAL . 53.2 Cg_endo -69.78 123.59 10.24 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.66 2.24 . . . . 0.0 112.387 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.3 mt -102.15 134.98 44.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.618 ' C ' HD12 ' A' ' 66' ' ' LEU . 1.1 p80 -121.52 179.52 4.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 63.72 31.95 14.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.79 ' HB3' HG21 ' A' ' 94' ' ' THR . 5.5 mp -99.91 135.35 41.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.403 HG23 ' OH ' ' A' ' 72' ' ' TYR . 89.2 t -69.5 115.19 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.159 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.779 HD13 ' O ' ' A' ' 94' ' ' THR . 0.5 OUTLIER -38.64 -70.89 0.09 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -75.33 70.14 2.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.4 m -169.94 126.96 0.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -82.47 109.73 16.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.559 ' CD2' HD23 ' A' ' 66' ' ' LEU . 67.2 m-85 -96.84 120.58 37.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 62.0 m -94.49 119.1 32.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -107.8 146.54 32.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.093 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.6 m -131.55 102.75 6.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.598 HG11 ' CE3' ' A' ' 28' ' ' TRP . 21.5 t -89.05 146.79 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.434 ' NH2' ' HB3' ' A' ' 84' ' ' LEU . 5.1 mtp180 -139.86 174.12 10.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.54 ' O ' HG23 ' A' ' 85' ' ' THR . . . -126.8 113.52 1.79 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.451 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -84.76 100.35 11.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.765 ' CG ' HG12 ' A' ' 35' ' ' VAL . 30.5 mmm-85 -118.25 94.66 4.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.14 -152.23 52.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.539 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 3.67 2.62 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.671 2.248 . . . . 0.0 112.382 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -120.84 175.89 5.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.434 ' HB3' ' NH2' ' A' ' 77' ' ' ARG . 6.1 mt -125.72 167.0 15.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.915 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 78' ' ' GLY . 45.3 p -107.34 177.34 4.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.147 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 53.1 p -70.59 124.82 91.58 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.699 0.762 . . . . 0.0 110.812 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 151.8 68.75 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.746 2.297 . . . . 0.0 112.319 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -131.5 115.7 16.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.7 t -114.85 153.79 29.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.875 ' CG2' HD23 ' A' ' 14' ' ' LEU . 12.1 tt -158.58 150.09 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.5 m -101.85 126.87 48.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.538 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 29.0 p90 -145.99 124.29 12.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.1 m -74.07 145.33 44.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.79 HG21 ' HB3' ' A' ' 66' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 . . . . . 0 CA--C 1.527 0.073 0 CA-C-O 120.831 0.348 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -116.16 179.73 17.9 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.45 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.585 ' HG3' HG12 ' A' ' 76' ' ' VAL . 53.5 Cg_endo -69.76 129.25 17.26 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.713 2.275 . . . . 0.0 112.322 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.7 p -134.19 168.97 17.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 67.01 28.93 8.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.531 HD23 ' HB ' ' A' ' 90' ' ' ILE . 3.8 tp -59.54 137.35 58.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -153.47 164.25 38.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.1 179.892 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.581 ' HB3' ' CE2' ' A' ' 92' ' ' PHE . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.798 0.332 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -135.14 165.07 31.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.079 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.2 mt -109.32 122.19 46.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -108.98 118.76 37.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.828 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.456 ' CD1' ' C ' ' A' ' 28' ' ' TRP . 1.7 p90 -129.57 154.17 47.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -97.12 129.37 32.4 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.648 0.737 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.62 122.43 9.15 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.367 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 32' ' ' GLN . 54.1 Cg_endo -69.67 160.65 48.91 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.696 2.264 . . . . 0.0 112.349 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 31' ' ' PRO . 51.1 tp60 -34.09 -54.87 0.5 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -96.67 122.28 57.49 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.599 0.714 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 143.99 52.33 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.713 2.275 . . . . 0.0 112.261 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.9 m -92.11 -174.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -101.37 -53.72 2.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.0 137.65 31.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.232 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.613 ' HB2' HG23 ' A' ' 54' ' ' THR . 79.8 m-85 -95.53 129.44 42.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.872 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -97.01 105.72 17.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.2 mp -107.46 142.16 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.67 125.73 27.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.695 HG21 HD22 ' A' ' 63' ' ' LEU . 22.8 t -113.06 126.9 70.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.166 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.1 p -147.1 165.32 30.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.185 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.48 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -171.09 157.43 4.93 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.593 0.711 . . . . 0.0 111.077 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.48 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.2 Cg_endo -69.81 102.09 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.607 2.204 . . . . 0.0 112.346 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.1 31.49 7.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.46 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.22 151.26 51.21 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.597 0.713 . . . . 0.0 111.091 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 144.66 54.73 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.659 2.239 . . . . 0.0 112.337 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.75 148.33 64.9 Favored 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 122.673 2.249 . . . . 0.0 112.427 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.3 tp -135.33 132.5 37.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.844 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -127.05 133.55 50.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.698 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -150.49 162.02 41.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -139.96 159.41 42.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.613 HG23 ' HB2' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -149.6 146.17 20.33 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.583 0.706 . . . . 0.0 111.154 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 148.33 65.27 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.712 2.274 . . . . 0.0 112.372 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.56 -13.81 3.16 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.534 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.1 t -77.66 8.56 4.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.836 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.73 143.8 49.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.124 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.0 m -123.79 23.63 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -170.55 131.84 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.698 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 15.5 t80 -128.43 96.39 30.71 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.662 0.744 . . . . 0.0 110.957 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 61' ' ' TYR . 53.4 Cg_endo -69.81 128.15 15.57 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.697 2.265 . . . . 0.0 112.271 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.695 HD22 HG21 ' A' ' 42' ' ' VAL . 4.2 mt -102.33 136.16 42.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -122.19 173.54 7.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.812 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.4 t70 65.18 50.26 1.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.1 mt -114.18 141.04 48.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 81.7 t -81.82 130.51 35.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.722 HD22 ' H ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -70.46 177.49 3.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 45.56 35.42 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.2 m -141.84 146.46 35.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -92.22 105.32 17.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -97.3 129.88 44.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.8 m -105.05 127.29 52.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.161 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.459 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -115.51 152.06 33.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.028 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.3 m -140.1 110.8 6.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.585 HG12 ' HG3' ' A' ' 11' ' ' PRO . 49.6 t -99.16 141.89 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.154 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 44.7 mtm-85 -139.58 159.25 42.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.429 ' O ' HG23 ' A' ' 85' ' ' THR . . . -111.41 120.3 5.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.503 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -88.18 101.02 13.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.844 0.354 . . . . 0.0 110.956 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -118.63 97.0 5.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 59.31 -150.71 36.87 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.411 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.64 3.64 2.6 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.735 2.29 . . . . 0.0 112.353 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -118.94 174.99 5.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.8 mt -128.64 165.27 21.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.949 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 78' ' ' GLY . 36.2 p -104.75 177.94 4.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 91.3 p -70.75 127.42 91.87 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.667 0.746 . . . . 0.0 110.851 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 145.6 57.62 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.336 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -135.06 115.47 13.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 74' ' ' ALA . 7.5 t -119.61 168.89 10.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.531 ' HB ' HD23 ' A' ' 14' ' ' LEU . 13.7 tt -157.41 155.92 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.141 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.424 ' N ' HG12 ' A' ' 90' ' ' ILE . 3.7 m -110.44 110.04 20.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.581 ' CE2' ' HB3' ' A' ' 24' ' ' ALA . 39.4 p90 -131.66 129.62 41.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.3 m -88.0 142.01 28.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.081 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.9 p . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.0 t0 . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.846 0.355 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.417 ' N ' ' HB ' ' A' ' 85' ' ' THR . . . -107.08 -179.31 22.6 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.462 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 135.3 30.08 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.0 p -135.73 -179.99 5.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.179 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 48.6 41.47 17.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 28' ' ' TRP . 7.4 tp -58.93 132.16 53.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.427 ' NH1' ' HB3' ' A' ' 15' ' ' ARG . 1.1 ptp180 -121.33 166.72 13.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.959 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.802 0.334 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.407 HG12 ' HB3' ' A' ' 62' ' ' PRO . 1.3 m -134.47 156.71 40.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.128 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.446 HD11 HD11 ' A' ' 63' ' ' LEU . 20.1 mt -105.55 142.49 35.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -123.79 119.72 30.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.48 ' CE3' HG11 ' A' ' 76' ' ' VAL . 1.9 p90 -129.25 153.95 47.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -91.2 120.53 68.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.535 0.684 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.84 119.92 6.78 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.62 2.213 . . . . 0.0 112.384 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 32' ' ' GLN . 54.6 Cg_endo -69.69 154.89 67.47 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.687 2.258 . . . . 0.0 112.325 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 31' ' ' PRO . 55.3 tt0 -35.04 -40.92 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.442 ' HA ' ' HD2' ' A' ' 34' ' ' PRO . 3.1 p30 -106.74 103.68 47.96 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.57 0.7 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.442 ' HD2' ' HA ' ' A' ' 33' ' ' ASN . 54.7 Cg_endo -69.71 121.19 7.89 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.732 2.288 . . . . 0.0 112.366 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.597 HG12 ' HG3' ' A' ' 80' ' ' ARG . 23.5 m -61.42 -175.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.128 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -96.11 -48.09 5.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.422 ' HB ' ' CD ' ' A' ' 53' ' ' GLU . 4.0 p -141.2 136.74 32.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.548 ' HB2' HG23 ' A' ' 54' ' ' THR . 64.3 m-85 -97.68 126.85 43.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -98.37 106.21 18.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.685 HG13 HG13 ' A' ' 76' ' ' VAL . 5.3 mp -106.6 139.37 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.115 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -131.08 120.51 23.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.686 HG21 HD22 ' A' ' 63' ' ' LEU . 93.2 t -108.84 133.24 54.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 76.1 p -145.11 166.94 23.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.173 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.831 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -161.01 162.67 22.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.534 0.683 . . . . 0.0 111.184 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.658 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.7 Cg_endo -69.79 86.66 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.717 2.278 . . . . 0.0 112.27 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 112.85 -33.62 5.52 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.537 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.831 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -71.62 152.38 93.65 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.599 0.714 . . . . 0.0 111.106 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 150.18 67.88 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.618 2.212 . . . . 0.0 112.312 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 145.99 58.6 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.347 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.3 tp -128.65 132.12 48.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -123.78 123.36 40.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.625 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -135.87 168.87 18.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.422 ' CD ' ' HB ' ' A' ' 37' ' ' THR . 1.2 tm-20 -150.06 153.37 36.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.548 HG23 ' HB2' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -150.41 146.22 19.58 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.635 0.731 . . . . 0.0 111.097 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 147.77 63.42 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.643 2.229 . . . . 0.0 112.302 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -52.44 -15.93 3.2 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.449 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.4 p -72.79 0.9 9.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.915 0.388 . . . . 0.0 110.837 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -115.37 146.12 41.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.065 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.8 m -121.82 20.21 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.065 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -170.15 142.05 2.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.625 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 29.3 t80 -133.57 99.49 14.24 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.63 0.729 . . . . 0.0 110.949 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.444 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 53.8 Cg_endo -69.73 107.93 1.96 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.686 HD22 HG21 ' A' ' 42' ' ' VAL . 5.0 mt -81.66 131.43 35.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.444 ' CD2' ' O ' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -116.25 170.65 8.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.869 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.9 t70 68.05 52.81 0.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.803 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.581 ' HB3' HG21 ' A' ' 94' ' ' THR . 75.6 mt -116.62 128.41 55.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 72.7 t -65.41 130.76 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.76 HD22 ' H ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -70.64 174.69 5.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 13.0 m170 44.52 32.92 0.81 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 78.6 m -145.39 142.81 29.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.078 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -85.46 127.3 34.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -114.59 125.79 54.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.9 m -96.71 126.35 41.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.162 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -115.54 145.99 42.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.9 m -133.7 106.02 7.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.685 HG13 HG13 ' A' ' 40' ' ' ILE . 15.8 t -93.26 144.8 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.159 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 33.3 mtm-85 -140.27 172.5 12.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.496 ' O ' HD23 ' A' ' 84' ' ' LEU . . . -125.26 129.79 7.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -98.08 101.73 13.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.361 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.597 ' HG3' HG12 ' A' ' 35' ' ' VAL . 23.4 mtp180 -121.43 95.1 4.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 63.33 -152.11 47.63 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 3.45 2.81 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.27 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -121.27 173.92 7.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.496 HD23 ' O ' ' A' ' 78' ' ' GLY . 9.8 mt -128.57 161.57 29.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.417 ' HB ' ' N ' ' A' ' 10' ' ' GLY . 27.8 p -99.6 177.83 5.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.202 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 73.9 m -70.09 129.83 90.34 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.612 0.72 . . . . 0.0 110.802 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 159.58 52.87 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.692 2.261 . . . . 0.0 112.327 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -147.12 115.44 6.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.136 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 74' ' ' ALA . 4.1 t -122.47 166.22 15.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 20.6 tt -158.36 159.89 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.5 m -107.0 123.06 47.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.112 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 92' ' ' PHE . 8.7 p90 -142.6 149.13 38.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.3 m -97.78 147.04 24.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.177 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.581 HG21 ' HB3' ' A' ' 66' ' ' LEU . 3.2 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.521 ' HB2' HG22 ' A' ' 85' ' ' THR . 1.8 m-20 . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.829 0.347 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.9 -179.62 17.27 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.541 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.447 ' HG3' HG12 ' A' ' 76' ' ' VAL . 54.3 Cg_endo -69.72 138.3 37.62 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.256 . . . . 0.0 112.334 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.8 p -141.98 177.46 8.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 52.6 45.22 29.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.507 HD23 ' CG2' ' A' ' 90' ' ' ILE . 5.3 tp -67.24 131.03 44.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.402 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 68.6 ttt180 -128.25 157.14 41.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.402 ' N ' ' HG2' ' A' ' 15' ' ' ARG . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.844 0.354 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -130.03 157.16 42.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.5 mt -92.08 154.37 18.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -136.04 118.91 16.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.768 ' CE3' HG11 ' A' ' 76' ' ' VAL . 1.9 p90 -129.26 153.89 47.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -92.97 123.96 59.71 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.533 0.682 . . . . 0.0 110.971 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 127.98 15.39 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.87 173.84 10.49 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.712 2.275 . . . . 0.0 112.302 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -50.42 -42.25 53.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -108.69 127.58 27.14 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.632 0.73 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 131.09 20.49 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.758 2.305 . . . . 0.0 112.358 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.739 HG21 ' CE1' ' A' ' 38' ' ' TYR . 8.2 m -78.88 -178.07 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -91.17 -60.07 1.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.2 p -140.5 143.14 35.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.739 ' CE1' HG21 ' A' ' 35' ' ' VAL . 79.6 m-85 -99.16 127.28 45.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -95.49 105.14 17.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.679 HD13 ' HB3' ' A' ' 61' ' ' TYR . 17.2 mt -106.82 122.41 60.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.05 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.455 ' CG ' ' O ' ' A' ' 41' ' ' GLN . 3.7 pt20 -112.63 120.64 42.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.986 HG21 HD22 ' A' ' 63' ' ' LEU . 60.3 t -113.54 116.52 52.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.036 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.4 p -142.46 171.36 14.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.186 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.547 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -172.06 159.44 4.41 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.599 0.714 . . . . 0.0 111.11 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.547 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.6 Cg_endo -69.79 102.95 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.63 -25.64 23.74 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.408 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.487 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -91.64 151.87 42.81 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.607 0.718 . . . . 0.0 111.062 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 146.76 60.68 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.701 2.268 . . . . 0.0 112.335 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 146.72 61.16 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.775 2.317 . . . . 0.0 112.31 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.9 tp -135.18 128.6 32.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -123.11 128.59 50.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.52 168.88 18.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -150.14 153.63 36.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.487 HG23 ' HB2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -149.75 151.19 32.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.598 0.713 . . . . 0.0 111.194 -179.911 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 148.09 64.61 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.638 2.225 . . . . 0.0 112.365 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.541 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -49.78 -33.01 18.79 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 91.0 p -52.29 -16.96 0.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.839 0.352 . . . . 0.0 110.841 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -92.79 154.66 18.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.064 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.3 m -125.16 9.78 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.048 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -171.06 155.42 4.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.679 ' HB3' HD13 ' A' ' 40' ' ' ILE . 29.0 t80 -139.86 114.37 7.83 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.692 0.758 . . . . 0.0 110.881 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 150.3 67.99 Favored 'Trans proline' 0 N--CA 1.465 -0.192 0 C-N-CA 122.714 2.276 . . . . 0.0 112.367 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.986 HD22 HG21 ' A' ' 42' ' ' VAL . 9.8 mt -131.52 133.28 44.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.535 ' C ' HD12 ' A' ' 66' ' ' LEU . 8.2 p80 -129.17 175.54 8.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 t70 72.47 30.44 1.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.576 HD23 ' CG ' ' A' ' 72' ' ' TYR . 5.9 mp -100.8 141.35 33.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.0 t -75.4 120.41 25.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.597 HD13 ' O ' ' A' ' 94' ' ' THR . 0.5 OUTLIER -40.99 -74.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -73.16 68.35 0.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.5 m -166.14 129.17 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -83.42 117.19 22.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.576 ' CG ' HD23 ' A' ' 66' ' ' LEU . 61.7 m-85 -105.81 122.59 46.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.4 m -94.8 122.2 37.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.068 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -105.29 148.37 27.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.409 ' CB ' ' HG2' ' A' ' 41' ' ' GLN . 2.7 m -132.79 103.19 5.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.768 HG11 ' CE3' ' A' ' 28' ' ' TRP . 10.6 t -93.64 137.09 23.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.6 mtt180 -138.48 169.37 17.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.815 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.492 ' O ' HG23 ' A' ' 85' ' ' THR . . . -122.05 117.4 3.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.414 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -85.33 103.77 14.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.361 . . . . 0.0 110.828 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.711 ' HG3' HG12 ' A' ' 35' ' ' VAL . 22.7 mtp180 -122.07 97.27 5.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 59.97 -152.07 36.85 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.465 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 3.77 2.58 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.728 2.285 . . . . 0.0 112.304 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -118.32 175.94 5.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.3 mt -128.91 162.47 27.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.521 HG22 ' HB2' ' A' ' 9' ' ' ASP . 31.4 p -103.37 173.88 6.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 91.9 p -67.46 121.06 77.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.56 0.695 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 150.89 69.23 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.713 2.276 . . . . 0.0 112.399 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.27 115.78 14.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.08 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 27.2 t -115.25 156.53 25.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.507 ' CG2' HD23 ' A' ' 14' ' ' LEU . 21.5 tt -152.01 153.44 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.8 m -107.85 112.34 24.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -131.23 129.45 41.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.5 m -85.06 143.91 28.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.107 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.597 ' O ' HD13 ' A' ' 68' ' ' LEU . 8.4 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.438 ' OD2' ' NH1' ' A' ' 80' ' ' ARG . 31.5 t70 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.792 0.33 . . . . 0.0 110.807 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -131.26 -165.36 11.43 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.513 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 128.57 16.23 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.754 2.303 . . . . 0.0 112.335 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.8 p -135.33 171.61 14.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 62.9 33.19 15.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.622 HD23 ' HB ' ' A' ' 90' ' ' ILE . 7.5 tp -58.79 115.53 3.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.5 ttt85 -127.73 159.91 33.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.881 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.638 ' HB3' ' HE2' ' A' ' 92' ' ' PHE . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.807 0.337 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.519 HG12 ' HA ' ' A' ' 62' ' ' PRO . 1.3 m -135.33 164.11 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.447 HD22 HD21 ' A' ' 14' ' ' LEU . 41.1 mt -103.38 129.08 50.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.524 ' O ' HD12 ' A' ' 14' ' ' LEU . 2.9 t-80 -113.77 118.73 35.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.613 ' CZ2' ' CD2' ' A' ' 38' ' ' TYR . 1.6 p90 -129.46 154.22 47.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.5 mttm -95.44 126.77 44.53 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.637 0.732 . . . . 0.0 110.838 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.74 124.23 10.89 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.693 2.262 . . . . 0.0 112.304 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.457 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.6 Cg_endo -69.81 167.15 25.33 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.64 2.227 . . . . 0.0 112.304 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 31' ' ' PRO . 37.2 tp60 -34.09 -45.61 0.21 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.54 122.55 30.74 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.644 0.735 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 115.29 4.02 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.671 2.247 . . . . 0.0 112.289 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.846 HG12 ' HG2' ' A' ' 80' ' ' ARG . 18.8 m -56.49 178.05 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.73 -56.83 3.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 p -141.23 151.99 44.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.083 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.613 ' CD2' ' CZ2' ' A' ' 28' ' ' TRP . 66.6 m-85 -107.38 131.5 54.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -96.95 108.85 21.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mp -105.88 132.89 51.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.184 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -129.91 117.41 20.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.796 HG21 HD22 ' A' ' 63' ' ' LEU . 24.9 t -110.02 132.32 58.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 46.0 p -145.36 171.91 13.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.837 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -169.35 156.3 6.5 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.564 0.697 . . . . 0.0 111.086 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.427 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 54.1 Cg_endo -69.73 84.4 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.713 2.275 . . . . 0.0 112.342 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 119.12 -26.33 7.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.525 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.837 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -83.12 152.51 65.28 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.538 0.685 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 148.23 64.16 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.666 2.244 . . . . 0.0 112.266 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 146.04 58.84 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 51' ' ' GLN . 3.6 tp -132.81 131.18 40.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.519 ' N ' HD12 ' A' ' 50' ' ' LEU . 39.9 tt0 -125.86 142.36 51.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.448 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -161.35 167.68 25.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -144.32 154.48 43.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.46 HG23 ' HB2' ' A' ' 38' ' ' TYR . 0.6 OUTLIER -147.48 146.76 25.86 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.548 0.69 . . . . 0.0 111.196 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 147.41 62.08 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.64 2.226 . . . . 0.0 112.315 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 58' ' ' ALA . . . -47.19 -42.26 16.79 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.446 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.4 m -42.54 -24.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 0.0 110.779 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 56' ' ' GLY . . . -90.32 148.22 23.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.4 m -125.09 17.91 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.151 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -169.49 148.14 3.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.448 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 31.9 t80 -134.64 103.18 11.2 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.712 0.768 . . . . 0.0 110.893 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.519 ' HA ' HG12 ' A' ' 25' ' ' VAL . 53.1 Cg_endo -69.79 117.43 5.08 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.339 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.796 HD22 HG21 ' A' ' 42' ' ' VAL . 5.9 mt -93.63 127.67 39.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -118.16 170.96 8.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.846 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.4 t70 66.36 48.52 1.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.8 mt -115.97 146.27 42.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 88.8 t -77.71 119.69 26.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.1 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.713 ' N ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -63.22 161.03 14.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.968 179.901 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 54.96 40.63 32.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 74.7 m -140.94 143.52 34.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 62.0 t-20 -86.25 108.45 18.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.95 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.625 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 33.4 m-85 -107.83 132.89 52.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.041 0.448 . . . . 0.0 110.898 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 33.0 m -106.67 120.59 42.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.415 ' HB3' HD21 ' A' ' 26' ' ' LEU . . . -112.0 150.66 30.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.126 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.7 m -134.91 119.71 18.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.18 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.557 HG11 ' CE3' ' A' ' 28' ' ' TRP . 39.8 t -109.69 135.51 48.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.9 mtt180 -130.4 159.96 35.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -108.24 126.19 8.15 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.413 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -92.82 99.91 12.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.846 ' HG2' HG12 ' A' ' 35' ' ' VAL . 43.7 mmm-85 -116.63 95.0 4.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.32 -151.35 50.29 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.524 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 3.62 2.65 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.7 2.267 . . . . 0.0 112.302 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -122.39 176.07 6.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.1 mt -128.07 164.03 23.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 42.9 p -102.08 178.04 4.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.5 p -67.01 130.33 93.9 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.642 0.734 . . . . 0.0 110.939 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 146.44 60.46 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.634 2.223 . . . . 0.0 112.368 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.25 115.53 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.7 t -117.94 158.83 24.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.78 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.622 ' HB ' HD23 ' A' ' 14' ' ' LEU . 14.6 tt -145.45 157.11 13.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.139 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.462 ' N ' HG12 ' A' ' 90' ' ' ILE . 9.2 m -112.08 110.4 20.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.108 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.638 ' HE2' ' HB3' ' A' ' 24' ' ' ALA . 4.0 p90 -126.48 143.65 51.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.4 m -101.5 123.51 45.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.187 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 69.9 p . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.179 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.83 0.348 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -109.77 -156.65 16.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.455 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.439 ' HG3' HG12 ' A' ' 76' ' ' VAL . 54.2 Cg_endo -69.74 127.25 14.34 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.619 2.213 . . . . 0.0 112.387 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -133.82 162.1 32.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 67.81 35.06 4.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.433 ' CD1' ' HB3' ' A' ' 28' ' ' TRP . 6.3 tp -59.16 123.37 16.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.2 ttm-85 -131.21 159.53 37.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.901 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.792 0.329 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -133.87 163.65 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.587 HD21 ' HB3' ' A' ' 74' ' ' ALA . 13.0 mt -105.42 147.44 28.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -127.71 118.78 24.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.76 ' CE3' HG11 ' A' ' 76' ' ' VAL . 1.7 p90 -129.28 152.83 48.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -94.37 123.03 59.86 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.57 0.7 . . . . 0.0 110.903 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 121.44 8.11 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.635 2.223 . . . . 0.0 112.311 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.0 Cg_endo -69.8 162.27 42.73 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 31' ' ' PRO . 35.2 tt0 -34.61 -54.86 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -96.24 120.58 62.33 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.667 0.746 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 114.09 3.59 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.676 2.251 . . . . 0.0 112.311 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.711 HG21 ' CE1' ' A' ' 38' ' ' TYR . 16.2 m -57.45 179.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -90.78 -55.3 3.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.887 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.87 154.81 46.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.104 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.711 ' CE1' HG21 ' A' ' 35' ' ' VAL . 65.5 m-85 -111.5 126.96 55.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -95.12 103.56 15.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mp -102.75 136.79 33.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.086 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -137.8 120.71 16.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.0 t -106.7 132.88 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.141 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 65.5 p -147.13 165.4 30.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.593 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -168.71 156.99 7.58 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.562 0.696 . . . . 0.0 111.15 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 54.3 Cg_endo -69.7 101.45 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.697 2.265 . . . . 0.0 112.358 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.6 19.32 35.23 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.418 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.593 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -127.22 153.58 76.89 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.568 0.699 . . . . 0.0 111.116 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.87 142.75 48.27 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.599 2.199 . . . . 0.0 112.289 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 146.34 59.56 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 51' ' ' GLN . 3.7 tp -135.14 129.29 33.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.522 ' N ' HD12 ' A' ' 50' ' ' LEU . 6.6 tm0? -126.69 148.95 49.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.94 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.715 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -168.42 157.61 9.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -132.48 154.25 50.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.566 HG23 ' HB2' ' A' ' 38' ' ' TYR . 0.8 OUTLIER -147.43 146.3 24.51 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.675 0.75 . . . . 0.0 111.123 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 143.91 52.33 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.671 2.247 . . . . 0.0 112.301 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.507 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -44.09 -44.35 7.45 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.452 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.3 m -37.88 -33.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.907 0.384 . . . . 0.0 110.86 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.67 146.43 29.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.0 m -119.72 16.99 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -170.18 147.62 3.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.715 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 38.3 t80 -133.68 99.94 13.83 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.685 0.755 . . . . 0.0 110.909 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 61' ' ' TYR . 54.2 Cg_endo -69.7 127.52 14.76 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.703 2.268 . . . . 0.0 112.363 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.515 ' HB2' HD11 ' A' ' 66' ' ' LEU . 1.6 mt -107.33 136.07 47.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.966 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -117.54 179.47 4.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.5 t0 58.43 49.5 10.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.515 HD11 ' HB2' ' A' ' 63' ' ' LEU . 32.1 mt -113.27 120.52 41.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.017 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.2 t -56.41 135.44 19.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.154 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.772 HD22 ' H ' ' A' ' 68' ' ' LEU . 0.4 OUTLIER -79.69 163.18 24.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 54.21 40.7 31.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.826 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.2 m -146.3 138.73 25.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -77.54 121.1 23.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.465 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 10.7 m-85 -118.3 126.17 51.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.4 m -100.46 119.03 37.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.186 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.587 ' HB3' HD21 ' A' ' 26' ' ' LEU . . . -106.18 139.76 40.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.045 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 33.2 m -125.9 115.79 20.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.76 HG11 ' CE3' ' A' ' 28' ' ' TRP . 46.2 t -108.78 122.27 63.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.417 ' NE ' ' HB3' ' A' ' 87' ' ' PRO . 14.3 mtt85 -118.91 158.05 26.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.469 ' O ' HG23 ' A' ' 85' ' ' THR . . . -115.58 127.61 7.67 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.573 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.477 ' CD2' ' N ' ' A' ' 79' ' ' LEU . 0.6 OUTLIER -91.38 107.75 19.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.823 0.344 . . . . 0.0 110.874 -179.834 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.7 ' HG2' HG12 ' A' ' 35' ' ' VAL . 30.5 mmm-85 -121.98 96.12 4.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 58.15 -150.86 32.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.512 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 3.68 2.63 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.685 2.257 . . . . 0.0 112.397 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -120.07 169.2 10.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.414 HD21 HD13 ' A' ' 79' ' ' LEU . 12.8 mt -128.45 155.49 44.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 78' ' ' GLY . 1.4 p -97.99 174.01 6.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.9 m -66.87 132.68 93.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 0.0 110.89 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.417 ' HB3' ' NE ' ' A' ' 77' ' ' ARG . 53.7 Cg_endo -69.74 136.97 34.42 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.732 2.288 . . . . 0.0 112.359 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -102.84 114.53 28.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.081 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.4 p -116.57 153.31 32.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.792 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.456 HG12 ' N ' ' A' ' 91' ' ' THR . 15.8 tt -162.13 160.67 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.111 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.456 ' N ' HG12 ' A' ' 90' ' ' ILE . 6.5 m -119.26 113.44 20.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -132.07 135.61 46.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.1 m -83.68 133.54 34.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.092 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 80' ' ' ARG . 28.2 m-20 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.61 -162.79 26.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.452 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.636 ' HG3' HG12 ' A' ' 76' ' ' VAL . 53.6 Cg_endo -69.74 132.64 23.8 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.706 2.271 . . . . 0.0 112.35 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.6 p -131.78 177.82 7.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.108 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 52.8 33.14 13.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.483 HD23 ' HB ' ' A' ' 90' ' ' ILE . 5.0 tp -60.86 121.75 13.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 19.5 ttm105 -133.43 166.57 22.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.415 ' N ' ' HG2' ' A' ' 15' ' ' ARG . . . . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.598 ' HB3' ' HE2' ' A' ' 92' ' ' PHE . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.839 0.352 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.409 HG12 ' HA ' ' A' ' 62' ' ' PRO . 1.8 m -121.03 156.84 24.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.116 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.0 mt -95.06 143.99 26.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -128.23 118.86 24.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.57 ' CE3' HG11 ' A' ' 76' ' ' VAL . 1.8 p90 -129.22 153.36 47.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.951 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -94.19 127.61 44.05 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.568 0.699 . . . . 0.0 110.959 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.429 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 53.4 Cg_endo -69.85 115.54 4.15 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.23 . . . . 0.0 112.292 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.9 Cg_endo -69.79 149.32 66.51 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.624 2.216 . . . . 0.0 112.343 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 31' ' ' PRO . 19.0 tt0 -34.24 -46.57 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.92 109.93 28.59 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.671 0.748 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.64 122.68 9.39 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.725 2.283 . . . . 0.0 112.344 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.753 HG21 ' CE1' ' A' ' 38' ' ' TYR . 30.3 m -80.46 -176.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -97.7 -56.84 2.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.0 p -141.87 144.93 34.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.753 ' CE1' HG21 ' A' ' 35' ' ' VAL . 70.2 m-85 -101.37 129.82 47.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.96 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -95.58 115.03 26.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.586 HG12 HG22 ' A' ' 76' ' ' VAL . 19.8 mt -116.02 123.17 70.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -124.36 110.4 14.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.946 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.607 HG21 HD13 ' A' ' 63' ' ' LEU . 30.3 t -92.77 126.47 45.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.177 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.3 p -141.1 166.38 24.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.197 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.611 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -164.51 151.78 10.1 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.543 0.687 . . . . 0.0 111.094 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.61 81.26 0.79 Allowed 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.705 2.27 . . . . 0.0 112.402 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 123.52 7.34 6.92 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.496 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.611 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -127.2 152.06 75.41 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.529 0.681 . . . . 0.0 111.109 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 149.28 67.02 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.704 2.269 . . . . 0.0 112.304 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 150.47 68.25 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.731 2.287 . . . . 0.0 112.386 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.7 tp -132.97 129.0 37.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -95.31 151.75 18.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.483 ' HB1' ' CE1' ' A' ' 61' ' ' TYR . . . -167.49 133.97 2.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.172 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -139.54 151.56 46.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.422 ' OG1' ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -153.7 148.38 19.55 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.56 0.695 . . . . 0.0 111.15 -179.892 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 147.65 63.47 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.728 2.285 . . . . 0.0 112.295 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.547 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -43.32 -43.7 6.02 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.524 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.5 t -39.53 -34.68 0.24 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.847 0.356 . . . . 0.0 110.822 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.422 ' HB3' ' OG1' ' A' ' 54' ' ' THR . . . -81.98 153.22 26.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.058 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.1 m -125.14 12.98 4.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -170.7 154.99 4.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.483 ' CE1' ' HB1' ' A' ' 52' ' ' ALA . 35.6 t80 -138.45 104.94 7.73 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.611 0.72 . . . . 0.0 110.992 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 61' ' ' TYR . 53.7 Cg_endo -69.68 115.69 4.2 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.646 2.231 . . . . 0.0 112.428 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.607 HD13 HG21 ' A' ' 42' ' ' VAL . 8.4 mt -96.7 130.36 43.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.936 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -115.61 177.99 4.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 59.08 46.91 12.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 97.6 mt -110.71 128.71 55.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.1 t -59.04 132.18 23.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.068 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.484 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -71.89 175.84 5.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 68' ' ' LEU . 38.3 m-70 36.49 51.84 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.3 m -153.23 125.99 8.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.25 104.73 6.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.497 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 13.3 m-85 -97.59 125.84 42.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.3 m -94.48 119.77 33.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.168 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -109.76 148.31 31.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.07 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.9 m -131.65 111.8 12.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.217 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.636 HG12 ' HG3' ' A' ' 11' ' ' PRO . 42.2 t -101.98 121.91 53.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -114.29 178.61 4.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.619 ' O ' HD23 ' A' ' 84' ' ' LEU . . . -128.73 123.65 4.36 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.516 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -92.72 98.86 11.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.666 ' HD3' HG12 ' A' ' 35' ' ' VAL . 28.1 mtm180 -121.23 96.12 4.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 63.45 -152.23 47.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 3.5 2.76 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.748 2.299 . . . . 0.0 112.305 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -122.9 174.51 7.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 78' ' ' GLY . 4.7 mt -128.66 156.55 43.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.2 p -92.26 177.27 6.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.176 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 61.4 m -69.02 129.33 92.27 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.627 0.727 . . . . 0.0 110.836 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 147.0 62.29 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.639 2.226 . . . . 0.0 112.385 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.94 115.53 13.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.1 t -116.62 167.94 10.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.483 ' HB ' HD23 ' A' ' 14' ' ' LEU . 15.6 tt -159.01 158.36 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.193 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.472 ' N ' HG12 ' A' ' 90' ' ' ILE . 2.7 m -111.89 110.89 21.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.598 ' HE2' ' HB3' ' A' ' 24' ' ' ALA . 31.1 p90 -130.19 138.67 50.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 43.6 m -89.75 132.54 35.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.217 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.124 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.42 ' HB3' ' NH1' ' A' ' 80' ' ' ARG . 3.7 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.823 0.344 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -119.5 -174.27 15.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.472 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 137.13 34.69 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.698 2.265 . . . . 0.0 112.371 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 39.5 p -140.67 176.27 8.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.121 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 49.96 39.65 19.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.487 ' CD1' ' HB3' ' A' ' 28' ' ' TRP . 8.1 tp -58.91 127.32 31.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -123.39 178.07 5.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 179.895 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.877 0.37 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.4 ' CG1' ' HB3' ' A' ' 62' ' ' PRO . 1.9 m -131.1 165.03 32.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.45 HD11 HD11 ' A' ' 63' ' ' LEU . 13.7 mt -109.94 146.93 34.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -129.03 120.76 26.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.751 ' CE3' HG11 ' A' ' 76' ' ' VAL . 2.0 p90 -129.31 153.28 47.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -91.71 125.98 55.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 125.87 12.61 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.659 2.239 . . . . 0.0 112.398 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.9 Cg_endo -69.81 163.68 37.4 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.629 2.219 . . . . 0.0 112.365 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 31' ' ' PRO . 43.9 tt0 -34.5 -50.71 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.811 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -110.62 128.15 25.8 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.69 0.757 . . . . 0.0 110.837 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 151.34 69.02 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.712 2.275 . . . . 0.0 112.314 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.756 HG12 ' HG2' ' A' ' 80' ' ' ARG . 19.1 m -96.62 -177.78 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.96 -51.5 5.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.4 p -142.07 136.9 30.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.152 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.856 ' HB2' HG23 ' A' ' 54' ' ' THR . 94.1 m-85 -96.71 127.23 42.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -95.73 114.54 26.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.611 HG13 HG13 ' A' ' 76' ' ' VAL . 5.2 mp -117.2 136.71 53.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.232 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -132.36 127.86 36.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.865 HG21 HD13 ' A' ' 63' ' ' LEU . 90.4 t -117.78 139.07 46.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.096 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.8 p -144.55 166.48 25.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.501 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -166.84 153.68 8.3 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.634 0.731 . . . . 0.0 111.025 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 110.36 2.55 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.664 2.242 . . . . 0.0 112.362 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.52 9.67 62.76 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.516 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.501 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -125.69 151.91 71.4 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.534 0.683 . . . . 0.0 111.109 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.71 148.12 64.72 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.377 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 136.75 33.61 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.65 2.233 . . . . 0.0 112.349 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 tp -116.5 128.56 55.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -128.98 129.14 45.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.666 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -145.09 172.64 12.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -142.45 157.22 45.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.856 HG23 ' HB2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -144.77 150.44 46.6 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.61 0.719 . . . . 0.0 111.134 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 152.97 69.63 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.63 2.22 . . . . 0.0 112.38 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.7 -16.69 46.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.2 p -81.41 15.28 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 110.86 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.66 143.07 49.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.117 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.5 m -118.89 18.61 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -169.8 147.62 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.666 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 15.9 t80 -133.83 96.5 16.32 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.7 0.762 . . . . 0.0 110.92 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.4 ' HB3' ' CG1' ' A' ' 25' ' ' VAL . 54.1 Cg_endo -69.71 112.3 3.03 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.657 2.238 . . . . 0.0 112.307 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.865 HD13 HG21 ' A' ' 42' ' ' VAL . 4.3 mt -96.31 133.22 40.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -118.11 173.02 7.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.805 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.9 t0 68.08 48.6 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.422 ' HB3' HG21 ' A' ' 94' ' ' THR . 90.8 mt -111.38 121.02 44.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.4 t -53.53 131.63 15.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.793 HD22 ' H ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -78.03 155.19 30.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.959 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 63.3 43.76 5.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.6 m -154.53 133.17 12.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -74.12 118.5 17.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.412 ' CD2' ' HB2' ' A' ' 44' ' ' ALA . 9.3 m-85 -114.11 116.89 29.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 57.7 m -91.19 119.96 31.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.413 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -108.22 138.03 45.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.9 m -123.2 111.94 17.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.214 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.751 HG11 ' CE3' ' A' ' 28' ' ' TRP . 21.4 t -99.89 142.75 14.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.149 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -139.65 179.39 6.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.956 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -134.21 129.43 5.24 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.446 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -93.03 104.72 16.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.749 0.309 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.756 ' HG2' HG12 ' A' ' 35' ' ' VAL . 22.0 mmm-85 -121.72 94.98 4.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.65 -152.82 50.03 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 3.49 2.74 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.742 2.294 . . . . 0.0 112.282 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -121.55 176.02 5.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.2 mt -122.29 165.99 15.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 70.4 p -103.66 177.06 4.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 31.2 p -69.76 127.38 92.6 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.719 0.771 . . . . 0.0 110.765 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 154.85 67.33 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.635 2.223 . . . . 0.0 112.341 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -147.32 115.59 6.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 74' ' ' ALA . 12.3 t -122.91 165.96 15.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 20.2 tt -155.34 157.49 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 7.4 m -106.19 120.95 43.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.097 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 22.2 p90 -143.47 133.3 23.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 35.0 m -83.17 142.2 31.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.422 HG21 ' HB3' ' A' ' 66' ' ' LEU . 8.9 p . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.826 0.346 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -124.36 -171.53 13.43 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.534 ' HG3' HG12 ' A' ' 76' ' ' VAL . 53.4 Cg_endo -69.77 128.86 16.62 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.63 2.22 . . . . 0.0 112.269 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.2 p -132.34 173.87 10.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.191 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 55.67 40.64 30.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.557 HD23 ' CG2' ' A' ' 90' ' ' ILE . 6.2 tp -62.39 127.88 33.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -122.43 162.71 21.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.051 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.475 ' HB3' ' CE1' ' A' ' 92' ' ' PHE . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.821 0.343 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -124.77 146.14 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.507 ' CD1' HD11 ' A' ' 63' ' ' LEU . 13.1 mt -91.32 111.8 23.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.021 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -102.62 118.9 37.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.574 ' CE3' HG11 ' A' ' 76' ' ' VAL . 1.9 p90 -129.42 153.99 47.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.1 tttt -88.05 122.51 69.93 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.6 0.714 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 118.82 5.91 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.623 2.215 . . . . 0.0 112.347 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 162.54 41.7 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.637 2.225 . . . . 0.0 112.368 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -47.61 -46.59 28.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.804 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -86.01 114.8 59.04 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.629 0.728 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 117.63 5.21 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.646 2.231 . . . . 0.0 112.359 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.594 ' CG2' ' CZ ' ' A' ' 38' ' ' TYR . 9.9 m -71.68 -176.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.045 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 56' ' ' GLY . 1.0 OUTLIER -103.45 -55.49 2.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.903 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 p -139.75 134.82 32.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.834 ' HB2' HG23 ' A' ' 54' ' ' THR . 82.1 m-85 -93.59 126.84 38.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -94.89 124.14 38.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.1 mp -123.75 139.17 51.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -133.29 114.14 13.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.471 ' HB ' ' CB ' ' A' ' 50' ' ' LEU . 1.2 t -113.92 107.18 22.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.114 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.9 p -128.62 155.58 44.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.664 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -151.19 162.69 26.06 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.513 0.673 . . . . 0.0 111.131 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.664 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.7 Cg_endo -69.73 95.02 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.613 2.208 . . . . 0.0 112.391 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 114.17 -36.2 4.11 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.452 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.466 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -77.44 157.04 80.79 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.638 0.732 . . . . 0.0 111.071 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.5 Cg_endo -69.67 158.68 56.24 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.722 2.281 . . . . 0.0 112.346 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 134.43 27.88 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.676 2.251 . . . . 0.0 112.335 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.504 ' CD1' ' C ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -102.71 117.89 35.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.487 ' N ' HD13 ' A' ' 50' ' ' LEU . 10.4 tt0 -126.04 119.68 28.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -157.49 160.23 38.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.068 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -136.83 162.4 33.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.834 HG23 ' HB2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -146.97 151.44 41.59 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.578 0.704 . . . . 0.0 111.126 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.6 155.44 66.44 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.724 2.282 . . . . 0.0 112.378 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 36' ' ' ASP . . . -61.37 -17.33 52.69 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.513 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.2 t -84.44 28.94 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.938 0.399 . . . . 0.0 110.872 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.44 132.78 41.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.174 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.7 m -116.11 22.74 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -171.17 131.24 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.41 ' HA ' ' HD2' ' A' ' 62' ' ' PRO . 14.3 t80 -127.52 96.4 33.2 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.689 0.757 . . . . 0.0 110.925 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 61' ' ' TYR . 54.2 Cg_endo -69.71 113.26 3.31 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.716 2.277 . . . . 0.0 112.322 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.507 HD11 ' CD1' ' A' ' 26' ' ' LEU . 5.0 mt -93.03 119.59 32.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -106.52 167.96 9.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.1 t70 72.9 51.15 0.15 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.836 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 97.1 mt -114.37 122.53 46.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.4 t -55.95 130.01 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.168 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -72.93 163.22 28.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 51.21 53.16 13.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.2 m -156.94 142.22 17.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.095 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -84.49 111.28 19.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -105.45 130.74 53.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.5 m -103.87 119.53 39.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.181 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -111.14 147.97 33.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 61.0 m -135.81 111.25 9.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.574 HG11 ' CE3' ' A' ' 28' ' ' TRP . 48.9 t -96.18 137.39 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.1 mtt180 -136.41 166.48 23.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -121.1 125.52 6.22 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -91.68 104.8 17.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.789 0.328 . . . . 0.0 110.843 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.56 ' HG3' HG12 ' A' ' 35' ' ' VAL . 44.7 mtp180 -122.07 94.54 4.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.53 -152.9 49.67 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.44 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 3.69 2.62 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.648 2.232 . . . . 0.0 112.38 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -119.56 175.88 5.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.4 mt -124.72 163.12 22.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 60.3 p -102.97 177.55 4.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.2 p -70.21 120.94 81.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.667 0.746 . . . . 0.0 110.871 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 155.15 66.44 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.663 2.242 . . . . 0.0 112.35 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -140.36 115.62 9.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.1 t -115.82 159.59 21.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.557 ' CG2' HD23 ' A' ' 14' ' ' LEU . 19.2 tt -157.04 160.58 2.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.437 ' N ' HG12 ' A' ' 90' ' ' ILE . 23.7 m -112.93 123.06 49.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.099 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.479 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 33.8 p90 -142.37 126.16 17.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.929 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 55.4 m -83.1 142.65 31.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.2 p . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.174 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.873 0.368 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.07 -166.01 17.57 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.483 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 130.61 19.71 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.743 2.295 . . . . 0.0 112.284 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.8 p -135.13 179.52 6.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.2 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 53.01 36.26 21.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.444 HD23 ' CG2' ' A' ' 90' ' ' ILE . 5.4 tp -58.11 124.84 20.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.869 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' A' ' 16' ' ' ALA . 13.4 tpp180 -117.23 150.84 38.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.446 ' N ' ' HG3' ' A' ' 15' ' ' ARG . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.702 ' HB3' HD12 ' A' ' 66' ' ' LEU . . . . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.869 0.366 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.424 HG12 ' HA ' ' A' ' 62' ' ' PRO . 1.4 m -135.06 164.37 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.5 mt -113.53 162.39 16.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -142.84 119.98 11.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.783 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.665 ' CZ2' ' CD2' ' A' ' 38' ' ' TYR . 2.1 p90 -129.08 153.94 47.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -92.15 122.19 65.35 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.574 0.702 . . . . 0.0 110.908 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.44 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 54.4 Cg_endo -69.69 113.97 3.54 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.644 2.229 . . . . 0.0 112.373 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 32' ' ' GLN . 54.0 Cg_endo -69.77 152.65 69.29 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.682 2.255 . . . . 0.0 112.398 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 31' ' ' PRO . 1.1 tm0? -34.5 -39.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.404 ' HA ' ' HD2' ' A' ' 34' ' ' PRO . 0.5 OUTLIER -99.56 100.91 11.76 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.609 0.719 . . . . 0.0 110.916 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 33' ' ' ASN . 53.5 Cg_endo -69.74 111.37 2.79 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.863 HG12 ' HG3' ' A' ' 80' ' ' ARG . 27.6 m -60.64 -174.97 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.077 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -94.04 -56.4 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.3 p -140.36 141.18 35.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.665 ' CD2' ' CZ2' ' A' ' 28' ' ' TRP . 64.4 m-85 -96.25 129.72 43.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -97.08 106.42 18.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.439 HG13 HG13 ' A' ' 76' ' ' VAL . 5.3 mp -105.15 136.09 40.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -129.37 113.62 15.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.43 HG21 HD13 ' A' ' 63' ' ' LEU . 53.1 t -99.65 123.11 52.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.7 p -140.4 170.18 16.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.489 ' HB2' ' CD1' ' A' ' 72' ' ' TYR . . . -174.67 151.32 1.49 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.584 0.707 . . . . 0.0 111.072 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 84.89 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.709 2.272 . . . . 0.0 112.356 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 121.01 24.07 2.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.531 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.64 153.18 54.46 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.538 0.685 . . . . 0.0 111.035 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 146.98 61.56 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.638 2.226 . . . . 0.0 112.364 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 144.97 55.5 Favored 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.657 2.238 . . . . 0.0 112.333 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.446 HD12 ' N ' ' A' ' 51' ' ' GLN . 4.7 tp -129.28 130.06 45.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.969 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.446 ' N ' HD12 ' A' ' 50' ' ' LEU . 4.2 tp60 -122.51 130.92 53.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.548 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -148.06 168.25 22.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -146.09 159.42 43.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 t -157.5 145.66 14.18 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.574 0.702 . . . . 0.0 111.164 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 147.63 63.18 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.754 2.303 . . . . 0.0 112.37 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -47.96 -39.28 18.27 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.432 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 51.6 m -43.95 -25.05 0.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.819 0.342 . . . . 0.0 110.853 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.33 137.37 32.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.087 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.7 m -114.53 22.28 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -170.17 144.55 2.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.548 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 10.5 t80 -131.5 96.51 21.11 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.693 0.759 . . . . 0.0 110.932 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.424 ' HA ' HG12 ' A' ' 25' ' ' VAL . 54.1 Cg_endo -69.69 106.26 1.62 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.72 2.28 . . . . 0.0 112.306 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.43 HD13 HG21 ' A' ' 42' ' ' VAL . 5.1 mt -89.25 131.94 35.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -116.64 171.18 8.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.9 t70 68.97 51.77 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.702 HD12 ' HB3' ' A' ' 24' ' ' ALA . 73.2 mt -115.31 127.98 55.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.5 t -60.64 134.08 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.767 HD22 ' H ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -81.33 152.71 27.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.5 m170 66.06 41.86 3.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 54.2 m -150.94 127.24 10.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -69.99 110.19 4.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.489 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 15.4 m-85 -104.92 130.78 53.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.4 m -102.24 119.69 39.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.206 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -109.21 138.66 45.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.062 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 38.5 m -127.48 119.69 26.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.521 HG11 ' CE3' ' A' ' 28' ' ' TRP . 21.3 t -106.46 136.28 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 38.1 mtm-85 -128.34 171.09 12.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -123.96 124.06 5.39 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.436 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -89.39 102.65 15.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.787 0.327 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.863 ' HG3' HG12 ' A' ' 35' ' ' VAL . 37.1 mtp180 -121.66 96.79 5.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 61.16 -151.92 41.49 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.462 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 3.58 2.69 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.699 2.266 . . . . 0.0 112.357 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -120.73 176.36 5.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.5 mt -128.78 157.94 40.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 45.6 p -93.89 177.71 5.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.14 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.4 m -71.24 127.73 91.09 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.731 0.777 . . . . 0.0 110.84 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 140.74 43.61 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.746 2.297 . . . . 0.0 112.322 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -128.74 115.76 18.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.3 t -119.43 160.16 22.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.444 ' CG2' HD23 ' A' ' 14' ' ' LEU . 21.2 tt -152.69 153.49 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.4 m -99.07 130.09 45.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.15 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.52 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 16.9 p90 -149.39 131.94 15.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.5 m -90.07 132.57 35.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 26.4 p . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.168 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 . . . . . 0 C--O 1.23 0.027 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -114.72 -167.09 15.54 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.535 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.574 ' HG3' HG12 ' A' ' 76' ' ' VAL . 54.2 Cg_endo -69.74 121.59 8.28 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.64 2.227 . . . . 0.0 112.381 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.4 p -124.26 165.12 18.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 56.6 39.98 29.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.465 HD12 ' HB3' ' A' ' 28' ' ' TRP . 9.2 tp -59.89 121.91 12.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -116.06 162.56 17.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.058 179.943 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.752 0.31 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -134.99 164.68 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.509 HD11 HD11 ' A' ' 63' ' ' LEU . 21.0 mt -107.04 132.58 52.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -119.59 119.75 34.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.822 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.465 ' HB3' HD12 ' A' ' 14' ' ' LEU . 1.8 p90 -127.19 153.53 45.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -95.38 125.95 47.86 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.598 0.713 . . . . 0.0 110.855 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.405 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 52.6 Cg_endo -69.88 119.4 6.34 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.703 2.269 . . . . 0.0 112.308 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 30' ' ' PRO . 53.8 Cg_endo -69.76 161.36 46.24 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.629 2.22 . . . . 0.0 112.337 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.6 tp60 -38.31 -55.65 1.32 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.407 ' HB3' ' NH1' ' A' ' 80' ' ' ARG . 3.2 t-20 -88.39 116.86 67.49 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.616 0.722 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 142.47 48.15 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.736 2.291 . . . . 0.0 112.332 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.666 HG12 ' HG3' ' A' ' 80' ' ' ARG . 26.4 m -94.3 -174.91 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.228 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -104.24 -53.15 2.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.7 p -142.42 134.41 27.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.133 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.621 ' CE1' HG21 ' A' ' 35' ' ' VAL . 85.5 m-85 -94.29 129.72 40.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -94.85 111.98 23.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.79 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mp -111.75 139.96 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -137.63 119.33 15.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.95 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.438 HG21 HD22 ' A' ' 63' ' ' LEU . 92.8 t -106.69 128.5 61.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.114 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.7 p -146.98 150.76 35.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.168 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.584 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -154.99 160.38 30.96 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.602 0.715 . . . . 0.0 111.124 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.584 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.6 Cg_endo -69.75 104.44 1.32 Allowed 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.744 2.296 . . . . 0.0 112.333 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.46 27.89 16.32 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.12 151.8 68.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.526 0.679 . . . . 0.0 111.138 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 144.82 55.34 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 139.23 39.64 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.678 2.252 . . . . 0.0 112.295 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.515 HD12 ' N ' ' A' ' 51' ' ' GLN . 5.2 tp -126.42 127.71 45.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.515 ' N ' HD12 ' A' ' 50' ' ' LEU . 20.2 tt0 -125.91 136.03 52.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.731 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -151.61 160.99 43.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -136.1 160.13 39.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.7 t -153.05 145.22 16.95 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.602 0.715 . . . . 0.0 111.123 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 149.28 66.5 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.637 2.225 . . . . 0.0 112.319 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.11 -13.17 3.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.54 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.4 t -77.06 8.89 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.824 0.345 . . . . 0.0 110.793 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -125.97 139.97 53.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.071 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.1 m -119.59 26.68 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -170.85 137.46 1.25 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.731 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 12.2 t80 -133.06 96.48 17.61 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.72 0.771 . . . . 0.0 110.934 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 61' ' ' TYR . 54.1 Cg_endo -69.77 124.43 11.07 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.679 2.253 . . . . 0.0 112.379 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.603 ' HB2' HD11 ' A' ' 66' ' ' LEU . 4.4 mt -98.57 134.85 40.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -120.64 179.07 4.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.7 t70 57.75 40.13 26.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.603 HD11 ' HB2' ' A' ' 63' ' ' LEU . 70.2 mt -105.28 117.75 34.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 63.2 t -53.16 134.8 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.731 HD22 ' H ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -76.03 160.39 29.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 56.77 48.74 15.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.819 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 89.7 m -152.14 130.06 11.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.193 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 35.2 p-10 -78.19 99.1 6.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -91.99 140.54 29.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 70.4 m -114.03 120.77 41.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -112.62 141.1 46.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.2 m -125.06 111.79 15.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.574 HG12 ' HG3' ' A' ' 11' ' ' PRO . 72.9 t -96.39 147.08 6.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 50.4 mtm-85 -142.59 170.72 15.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -125.91 118.21 3.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.4 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.415 HD13 ' CD2' ' A' ' 84' ' ' LEU . 4.5 mm? -90.15 99.73 12.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 0.0 110.849 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.666 ' HG3' HG12 ' A' ' 35' ' ' VAL . 38.0 mtp180 -117.23 94.41 4.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.35 -151.12 50.5 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 3.46 2.73 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.661 2.24 . . . . 0.0 112.395 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -121.49 171.09 9.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.415 ' CD2' HD13 ' A' ' 79' ' ' LEU . 6.6 mt -127.55 164.96 20.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 58.2 p -103.49 178.02 4.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.1 m -71.78 127.86 90.28 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.619 0.723 . . . . 0.0 110.832 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 140.62 43.24 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.702 2.268 . . . . 0.0 112.335 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -129.73 115.61 17.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.9 t -116.31 171.43 7.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.416 ' HB ' HD23 ' A' ' 14' ' ' LEU . 16.7 tt -162.73 156.34 2.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.7 m -110.79 113.47 26.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.168 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -126.64 141.65 51.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 35.7 m -92.58 130.13 38.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.155 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 74.6 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.151 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 80' ' ' ARG . 12.3 m-20 . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.851 0.357 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.46 ' N ' ' HB ' ' A' ' 85' ' ' THR . . . -97.45 -170.14 33.09 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 138.05 36.72 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.326 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.1 p -135.83 163.54 29.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.147 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 61.23 36.64 17.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.595 HD23 ' CG2' ' A' ' 90' ' ' ILE . 7.4 tp -60.36 109.66 1.05 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -118.47 152.68 35.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 179.915 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.804 0.335 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.9 m -135.06 157.55 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.544 HD22 HD21 ' A' ' 14' ' ' LEU . 56.7 mt -99.59 153.1 19.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -141.09 118.63 11.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.571 ' CZ2' ' CD2' ' A' ' 38' ' ' TYR . 2.3 p90 -129.54 154.12 47.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 ttmm -95.26 127.41 42.46 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.628 0.728 . . . . 0.0 110.866 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 121.2 7.91 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.708 2.272 . . . . 0.0 112.34 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.4 Cg_endo -69.76 170.0 17.6 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.689 2.26 . . . . 0.0 112.316 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 31' ' ' PRO . 28.7 tt0 -34.59 -51.72 0.49 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -108.53 120.92 44.95 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.552 0.691 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 117.29 5.0 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.633 2.222 . . . . 0.0 112.369 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.473 HG22 ' CZ ' ' A' ' 38' ' ' TYR . 15.5 m -58.04 -178.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.452 ' OD2' HG23 ' A' ' 37' ' ' THR . 1.5 t70 -94.16 -54.13 3.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.452 HG23 ' OD2' ' A' ' 36' ' ' ASP . 17.3 p -142.29 134.55 27.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.169 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.571 ' CD2' ' CZ2' ' A' ' 28' ' ' TRP . 86.9 m-85 -92.04 126.99 37.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -95.11 107.29 19.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.517 HG13 HG22 ' A' ' 76' ' ' VAL . 5.3 mp -107.21 135.59 45.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -129.87 116.17 18.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.66 HG21 HD22 ' A' ' 63' ' ' LEU . 30.4 t -108.8 134.41 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 47.7 p -146.98 164.42 33.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.761 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -159.69 162.54 24.83 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.593 0.711 . . . . 0.0 111.072 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.662 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 54.5 Cg_endo -69.68 85.75 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.672 2.248 . . . . 0.0 112.398 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.5 -37.43 3.47 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.761 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -68.46 151.7 97.07 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.593 0.711 . . . . 0.0 111.05 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.76 148.55 65.33 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.656 2.238 . . . . 0.0 112.348 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 137.91 36.26 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.654 2.236 . . . . 0.0 112.301 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 51' ' ' GLN . 3.5 tp -119.78 130.17 54.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.976 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.413 ' N ' HD12 ' A' ' 50' ' ' LEU . 35.2 tt0 -125.3 122.16 36.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.822 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -141.02 169.66 17.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -146.64 166.06 27.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.474 ' HB ' ' CE1' ' A' ' 61' ' ' TYR . 5.0 t -159.6 143.18 10.63 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.573 0.701 . . . . 0.0 111.134 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 150.98 68.71 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.613 2.209 . . . . 0.0 112.317 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.48 -14.88 5.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.507 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.4 t -74.67 5.01 5.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.349 . . . . 0.0 110.863 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -124.6 132.51 53.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.129 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.1 m -112.48 29.13 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.125 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -170.3 140.85 1.93 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.822 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 7.1 t80 -133.41 96.62 16.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.659 0.742 . . . . 0.0 110.9 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 105.93 1.58 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.741 2.294 . . . . 0.0 112.332 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.66 HD22 HG21 ' A' ' 42' ' ' VAL . 7.6 mt -79.56 127.57 32.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.5 p80 -115.88 173.61 6.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.6 t0 59.49 51.29 6.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.592 ' HB3' HG21 ' A' ' 94' ' ' THR . 11.3 mt -118.57 116.49 26.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.8 t -54.45 132.52 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.756 HD22 ' H ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -75.37 166.72 23.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.958 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 53.34 40.59 31.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 86.3 m -147.07 130.96 17.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.402 ' OD1' ' C ' ' A' ' 71' ' ' ASN . 3.4 t-20 -70.94 121.1 17.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.9 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -119.65 127.36 52.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 94.8 m -106.86 120.52 42.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.124 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -110.5 142.51 42.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.063 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.3 m -128.29 112.05 14.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.133 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.517 HG22 HG13 ' A' ' 40' ' ' ILE . 64.0 t -95.77 150.93 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 52.6 mtm-85 -143.07 173.17 11.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.486 ' O ' HG23 ' A' ' 85' ' ' THR . . . -126.44 114.45 2.03 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.432 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -86.46 101.5 13.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.778 0.323 . . . . 0.0 110.949 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 9' ' ' ASP . 18.2 mtm180 -122.01 95.33 4.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 63.92 -153.38 47.7 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.491 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 3.95 2.46 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.701 2.267 . . . . 0.0 112.347 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -120.01 173.08 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 mt -128.74 156.93 42.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 78' ' ' GLY . 12.5 p -97.95 174.98 6.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.4 p -67.35 127.06 93.37 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.656 0.741 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 148.06 64.09 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.712 2.275 . . . . 0.0 112.328 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.72 115.59 13.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.096 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.3 t -118.3 160.51 21.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.595 ' CG2' HD23 ' A' ' 14' ' ' LEU . 18.2 tt -152.71 150.66 12.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.178 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.5 m -102.33 113.79 27.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.119 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.545 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 18.4 p90 -137.53 130.41 30.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 24.2 m -75.13 147.61 40.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.087 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.592 HG21 ' HB3' ' A' ' 66' ' ' LEU . 2.4 p . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.508 ' CG ' HG22 ' A' ' 85' ' ' THR . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.819 0.342 . . . . 0.0 110.831 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.406 ' N ' ' HB ' ' A' ' 85' ' ' THR . . . -109.45 -173.77 20.96 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.448 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 137.03 34.39 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.5 p -138.54 166.36 24.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 62.67 40.96 9.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.957 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.479 ' CD1' ' HB3' ' A' ' 28' ' ' TRP . 3.6 tp -69.0 140.42 55.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.943 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.445 ' HA ' HD12 ' A' ' 90' ' ' ILE . 10.9 mtp180 -141.23 162.0 36.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.079 179.9 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.888 0.375 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -127.05 163.48 29.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.503 HD11 HD11 ' A' ' 63' ' ' LEU . 35.6 mt -105.06 139.17 40.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -124.53 118.75 27.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.528 ' HH2' HG21 ' A' ' 54' ' ' THR . 1.8 p90 -129.45 151.9 49.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.422 ' N ' ' HE3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -93.53 128.14 43.42 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.548 0.69 . . . . 0.0 110.925 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 126.14 12.97 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.741 2.294 . . . . 0.0 112.299 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 173.33 11.19 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.599 2.199 . . . . 0.0 112.317 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -46.24 -48.82 17.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -103.77 123.02 42.62 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.67 0.748 . . . . 0.0 110.831 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 132.35 23.09 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.67 2.247 . . . . 0.0 112.345 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.652 HG12 ' CG ' ' A' ' 80' ' ' ARG . 22.8 m -80.69 -177.38 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.156 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -97.25 -55.38 2.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.4 p -142.02 135.21 29.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.644 ' HB2' HG23 ' A' ' 54' ' ' THR . 90.2 m-85 -92.07 133.78 35.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -98.41 101.62 13.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.826 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.459 HG13 HG13 ' A' ' 76' ' ' VAL . 5.1 mp -102.27 137.98 28.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -137.43 113.49 9.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.442 HG21 HD13 ' A' ' 63' ' ' LEU . 86.9 t -100.53 129.07 51.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.166 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.5 p -141.59 157.58 44.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.814 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -155.72 163.32 25.11 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 0.0 111.14 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.67 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 52.7 Cg_endo -69.81 82.6 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.726 2.284 . . . . 0.0 112.29 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 117.41 -35.11 4.26 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.476 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.814 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -69.36 151.63 96.79 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.546 0.688 . . . . 0.0 111.113 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 148.33 65.29 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.696 2.264 . . . . 0.0 112.311 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 145.03 56.46 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 0.0 112.324 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.439 HD12 ' N ' ' A' ' 51' ' ' GLN . 3.7 tp -128.55 130.14 46.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.439 ' N ' HD12 ' A' ' 50' ' ' LEU . 8.1 tp60 -123.11 116.29 23.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.702 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -137.75 154.97 49.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -130.81 162.68 29.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.644 HG23 ' HB2' ' A' ' 38' ' ' TYR . 1.2 t -151.85 145.98 18.25 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.559 0.695 . . . . 0.0 111.251 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 147.96 64.56 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.74 2.293 . . . . 0.0 112.355 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.99 -16.1 5.74 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.498 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 95.1 p -82.66 19.04 1.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.815 0.34 . . . . 0.0 110.875 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -129.4 131.95 46.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.0 m -115.11 27.43 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.183 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -170.61 133.78 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.824 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.702 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 12.6 t80 -132.22 97.45 18.12 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.628 0.727 . . . . 0.0 110.951 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 61' ' ' TYR . 53.9 Cg_endo -69.76 125.09 11.74 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.647 2.231 . . . . 0.0 112.351 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.503 HD11 HD11 ' A' ' 26' ' ' LEU . 6.1 mt -108.45 120.32 42.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -105.56 -179.58 3.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.79 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 63.56 49.76 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 44.2 mt -114.6 121.46 43.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 91.8 t -55.64 133.72 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.155 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.66 155.45 31.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.975 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 60.89 49.6 5.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.5 m -161.65 139.49 9.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.203 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -76.92 133.27 39.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.837 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.583 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 10.5 m-85 -123.16 134.55 54.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.1 m -106.52 120.54 42.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.144 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -115.22 117.27 30.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.1 m -106.82 116.73 32.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.459 HG13 HG13 ' A' ' 40' ' ' ILE . 45.9 t -105.2 145.21 13.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 65.7 mtm-85 -138.13 172.92 12.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -125.46 128.52 6.59 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -94.57 100.43 12.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.763 0.316 . . . . 0.0 110.93 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.652 ' CG ' HG12 ' A' ' 35' ' ' VAL . 29.9 mmm-85 -119.76 95.52 4.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.98 -152.62 50.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.439 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 3.69 2.6 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.737 2.291 . . . . 0.0 112.291 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -121.39 178.08 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.9 mt -126.94 163.06 24.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.508 HG22 ' CG ' ' A' ' 9' ' ' ASP . 44.4 p -98.7 176.11 5.75 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.154 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 85.8 p -69.08 126.06 92.46 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.652 0.739 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 142.67 48.93 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.709 2.273 . . . . 0.0 112.395 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.39 117.4 16.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 26.3 t -126.14 152.45 45.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.826 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.445 HD12 ' HA ' ' A' ' 15' ' ' ARG . 18.7 tt -142.69 158.2 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.16 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.431 ' N ' HG12 ' A' ' 90' ' ' ILE . 0.7 OUTLIER -105.03 125.47 51.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.164 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.47 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 36.6 p90 -142.56 128.95 20.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.805 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 96.0 m -91.32 133.78 35.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.3 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.546 ' CB ' ' CZ ' ' A' ' 80' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.825 0.345 . . . . 0.0 110.86 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.23 -157.69 13.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.565 ' HG3' HG12 ' A' ' 76' ' ' VAL . 53.8 Cg_endo -69.73 121.69 8.38 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.624 2.216 . . . . 0.0 112.387 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 65.6 p -128.89 166.08 19.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 63.82 34.81 11.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.604 HD23 ' CG2' ' A' ' 90' ' ' ILE . 4.7 tp -58.27 125.55 23.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.965 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -127.88 172.45 10.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.804 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.963 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.518 ' HB1' ' CE1' ' A' ' 92' ' ' PHE . . . . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.835 0.35 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -135.0 159.23 41.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.158 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.5 mt -102.02 143.34 31.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -126.56 119.04 26.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.831 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.506 ' CE3' HG11 ' A' ' 76' ' ' VAL . 1.8 p90 -129.23 153.28 47.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -92.55 122.35 64.47 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.582 0.706 . . . . 0.0 110.935 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.443 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 54.0 Cg_endo -69.67 114.35 3.66 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.724 2.283 . . . . 0.0 112.322 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.443 ' HD2' ' HA ' ' A' ' 30' ' ' PRO . 53.6 Cg_endo -69.83 150.38 67.74 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.726 2.284 . . . . 0.0 112.329 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 31' ' ' PRO . 30.0 tt0 -34.28 -38.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.78 106.64 31.75 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.621 0.724 . . . . 0.0 110.869 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 110.82 2.67 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.659 2.239 . . . . 0.0 112.311 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.586 HG21 ' CE1' ' A' ' 38' ' ' TYR . 14.3 m -60.87 -175.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.113 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -97.79 -55.73 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 39.4 p -141.89 140.63 32.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.586 ' CE1' HG21 ' A' ' 35' ' ' VAL . 73.8 m-85 -97.19 126.69 42.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -94.99 100.82 12.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.839 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.514 HD13 ' HB3' ' A' ' 61' ' ' TYR . 21.2 mt -100.79 134.93 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -132.44 111.73 11.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.586 HG21 HD22 ' A' ' 63' ' ' LEU . 62.9 t -97.63 130.97 45.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 67.8 p -145.97 161.16 40.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.484 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -165.1 157.43 13.58 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.534 0.683 . . . . 0.0 111.136 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.484 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 54.2 Cg_endo -69.76 99.99 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.641 2.227 . . . . 0.0 112.321 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 99.95 27.0 8.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.553 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.76 152.04 61.57 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.627 0.727 . . . . 0.0 111.078 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.63 146.44 61.03 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.391 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 139.9 41.44 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.667 2.245 . . . . 0.0 112.312 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.409 HD23 ' HB ' ' A' ' 42' ' ' VAL . 8.1 tp -122.55 128.4 50.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -124.68 132.75 53.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.416 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -149.3 174.45 12.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.089 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -150.73 159.52 44.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.4 t -157.32 144.08 13.31 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.517 0.675 . . . . 0.0 111.169 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 144.0 52.65 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.717 2.278 . . . . 0.0 112.334 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.525 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -39.66 -45.47 2.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 56' ' ' GLY . 66.8 m -35.04 -40.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.895 0.378 . . . . 0.0 110.849 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.78 146.04 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.1 m -124.0 19.79 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -168.44 143.25 3.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.977 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.514 ' HB3' HD13 ' A' ' 40' ' ' ILE . 8.3 t80 -132.08 96.69 19.45 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.686 0.755 . . . . 0.0 110.967 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 61' ' ' TYR . 54.0 Cg_endo -69.73 109.03 2.2 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.331 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.586 HD22 HG21 ' A' ' 42' ' ' VAL . 2.8 mt -86.59 132.17 33.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.543 ' C ' HD12 ' A' ' 66' ' ' LEU . 1.7 p80 -120.39 172.98 7.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.3 t0 68.17 44.67 1.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.552 HD23 ' CD2' ' A' ' 72' ' ' TYR . 5.7 mp -109.04 145.29 35.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.0 t -71.59 128.06 34.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.483 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -64.86 169.99 4.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.438 ' C ' ' O ' ' A' ' 68' ' ' LEU . 9.7 m-70 34.98 50.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.8 m -146.5 133.06 19.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -74.47 114.96 13.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.552 ' CD2' HD23 ' A' ' 66' ' ' LEU . 6.4 m-85 -111.44 125.78 54.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 78.1 m -101.78 123.22 45.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.078 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -109.98 152.39 25.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.056 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 39.1 m -134.87 106.35 6.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.081 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.565 HG12 ' HG3' ' A' ' 11' ' ' PRO . 29.0 t -94.37 146.46 6.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.909 ' NE ' HD21 ' A' ' 84' ' ' LEU . 20.7 mtt180 -142.41 168.64 19.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.814 ' O ' HG23 ' A' ' 85' ' ' THR . . . -126.31 110.78 1.31 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -82.9 95.69 8.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.805 0.335 . . . . 0.0 110.94 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.546 ' CZ ' ' CB ' ' A' ' 9' ' ' ASP . 23.0 mtm180 -107.33 93.79 4.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.82 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.31 -149.08 51.14 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.501 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 5.11 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.644 2.23 . . . . 0.0 112.318 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -125.36 164.86 19.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.909 HD21 ' NE ' ' A' ' 77' ' ' ARG . 8.2 tp -124.4 155.96 37.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.814 HG23 ' O ' ' A' ' 78' ' ' GLY . 2.0 p -96.51 171.3 8.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.174 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 55.4 m -66.33 130.68 94.24 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.743 0.782 . . . . 0.0 110.79 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 147.35 62.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.73 2.287 . . . . 0.0 112.341 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -131.57 115.62 16.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.8 t -117.17 154.18 31.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.863 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.604 ' CG2' HD23 ' A' ' 14' ' ' LEU . 17.7 tt -147.59 159.65 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.112 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.459 ' N ' HG12 ' A' ' 90' ' ' ILE . 4.7 m -105.92 131.63 53.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.518 ' CE1' ' HB1' ' A' ' 24' ' ' ALA . 46.8 p90 -155.77 132.24 10.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.6 m -80.22 145.5 32.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.9 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 -179.967 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.26 -170.18 23.05 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.394 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 131.89 22.19 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.344 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.8 p -136.65 175.28 9.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 54.99 37.83 29.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.484 ' CD1' ' HB3' ' A' ' 28' ' ' TRP . 6.2 tp -60.07 121.5 12.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -119.1 158.57 25.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.062 179.94 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.855 0.36 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.49 HG12 ' HB3' ' A' ' 62' ' ' PRO . 1.3 m -134.56 159.41 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.684 HD11 HD11 ' A' ' 63' ' ' LEU . 17.2 mt -99.86 150.71 22.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -130.21 119.74 23.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.865 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.601 ' CZ2' ' CD2' ' A' ' 38' ' ' TYR . 1.8 p90 -128.41 153.38 47.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -91.98 124.83 58.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.586 0.708 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 123.29 9.95 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.691 2.261 . . . . 0.0 112.352 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.2 Cg_endo -69.74 160.0 51.32 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.589 2.193 . . . . 0.0 112.326 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 31' ' ' PRO . 56.3 tt0 -36.41 -41.6 0.29 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -109.01 122.42 39.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.588 0.708 . . . . 0.0 110.962 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 115.86 4.3 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.723 2.282 . . . . 0.0 112.278 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.2 m -63.62 180.0 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -89.63 -58.29 2.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 31.0 p -140.98 144.94 35.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.601 ' CD2' ' CZ2' ' A' ' 28' ' ' TRP . 68.6 m-85 -98.28 130.11 44.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -94.85 102.78 14.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.607 HG12 HG22 ' A' ' 76' ' ' VAL . 16.8 mt -106.0 136.18 41.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -137.94 118.44 13.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.701 HG21 HD22 ' A' ' 63' ' ' LEU . 30.5 t -106.73 132.85 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.1 p -144.86 163.49 33.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.585 ' HB2' ' CD1' ' A' ' 72' ' ' TYR . . . -161.06 152.47 15.97 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.587 0.708 . . . . 0.0 111.057 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 81.68 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 128.2 -7.84 6.72 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.511 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.555 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -110.53 154.74 42.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.524 0.678 . . . . 0.0 111.139 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.91 152.48 68.56 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.698 2.265 . . . . 0.0 112.302 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 138.22 37.57 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.685 2.257 . . . . 0.0 112.4 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.464 HD23 ' HB ' ' A' ' 42' ' ' VAL . 6.6 tp -125.61 130.44 51.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.94 136.44 53.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.401 ' HB1' ' CZ ' ' A' ' 61' ' ' TYR . . . -151.4 150.07 30.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.079 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -132.76 159.21 40.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.56 147.52 15.53 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.658 0.742 . . . . 0.0 111.106 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 145.52 57.35 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.595 2.197 . . . . 0.0 112.34 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.407 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -44.56 -38.91 5.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.2 p -40.34 -29.47 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.345 . . . . 0.0 110.902 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -91.8 148.95 21.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.071 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.0 m -120.6 16.63 6.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.178 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -170.97 151.78 3.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.407 ' HA ' ' HD2' ' A' ' 62' ' ' PRO . 38.2 t80 -139.36 111.9 7.82 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-O 121.676 0.751 . . . . 0.0 110.94 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.49 ' HB3' HG12 ' A' ' 25' ' ' VAL . 54.4 Cg_endo -69.78 116.2 4.45 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.65 2.233 . . . . 0.0 112.361 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.701 HD22 HG21 ' A' ' 42' ' ' VAL . 8.5 mt -95.52 104.63 16.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -93.82 176.03 6.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.2 t70 63.4 52.11 2.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 81.5 mt -116.19 109.07 16.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.7 t -42.13 134.89 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.157 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.788 HD22 ' H ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -80.8 152.89 28.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.956 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 13.3 m170 64.25 41.83 5.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.803 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 48.5 m -156.24 138.58 14.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -76.59 139.89 40.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.585 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 10.2 m-85 -130.57 129.87 43.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.1 m -99.42 123.7 43.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.16 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -115.89 137.58 51.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.6 m -126.81 118.05 23.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.607 HG22 HG12 ' A' ' 40' ' ' ILE . 12.5 t -110.62 135.38 49.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.119 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 -130.13 169.44 15.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -114.11 132.67 10.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.502 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -98.09 101.12 12.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.818 0.342 . . . . 0.0 110.952 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 34.6 mtp180 -122.1 94.35 4.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 62.73 -152.44 45.64 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.444 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.77 3.87 2.53 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.687 2.258 . . . . 0.0 112.329 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -118.05 173.62 6.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.2 mt -128.99 156.91 43.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 60.0 p -95.3 177.69 5.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 83.8 p -69.43 130.38 90.85 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.633 0.73 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.82 142.38 47.5 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.639 2.226 . . . . 0.0 112.337 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -133.42 115.65 15.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.048 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 74' ' ' ALA . 9.0 t -122.58 170.04 10.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 17.3 tt -161.05 150.71 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.126 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.75 125.52 45.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -140.33 144.86 36.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 44.7 m -99.5 144.78 28.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.173 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.4 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.52 ' CG ' HG22 ' A' ' 85' ' ' THR . 21.5 p-10 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.799 0.333 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.418 ' N ' ' HB ' ' A' ' 85' ' ' THR . . . -118.64 -170.33 14.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.491 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.448 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 54.3 Cg_endo -69.73 132.49 23.49 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.637 2.225 . . . . 0.0 112.429 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.77 173.49 11.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 56.32 40.92 29.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.578 HD12 ' O ' ' A' ' 27' ' ' HIS . 8.3 tp -58.38 125.08 21.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 16' ' ' ALA . 23.0 tpt85 -113.97 150.0 34.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.422 ' N ' ' HG3' ' A' ' 15' ' ' ARG . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.827 0.346 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -134.37 158.98 42.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.083 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.7 mt -99.08 160.94 13.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.919 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.578 ' O ' HD12 ' A' ' 14' ' ' LEU . 3.9 t-80 -141.1 118.77 11.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.474 ' HB3' ' CD1' ' A' ' 14' ' ' LEU . 1.9 p90 -129.29 154.03 47.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -87.76 117.42 68.47 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.539 0.685 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.71 119.91 6.79 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.677 2.252 . . . . 0.0 112.346 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 160.01 51.27 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.685 2.257 . . . . 0.0 112.348 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -44.88 -39.93 5.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.455 ' CG ' ' NH1' ' A' ' 80' ' ' ARG . 1.7 p30 -97.31 109.46 49.97 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.606 0.717 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 111.83 2.91 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.74 2.293 . . . . 0.0 112.328 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.579 HG12 ' HD3' ' A' ' 80' ' ' ARG . 12.9 m -61.52 -177.03 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -96.19 -52.68 3.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.2 p -141.92 136.65 30.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.764 ' HB2' HG23 ' A' ' 54' ' ' THR . 83.8 m-85 -95.85 129.58 43.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -97.05 115.26 27.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.968 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.505 HG13 HG22 ' A' ' 76' ' ' VAL . 5.3 mp -113.63 136.29 50.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.165 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -130.17 115.04 16.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.66 HG21 HD13 ' A' ' 63' ' ' LEU . 59.0 t -105.65 127.16 60.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.086 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 44.6 p -141.76 163.84 31.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.101 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.745 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -161.67 165.44 16.38 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.59 0.71 . . . . 0.0 111.093 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.745 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.6 Cg_endo -69.76 86.13 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.733 2.289 . . . . 0.0 112.326 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.44 -39.67 2.68 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.671 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -65.03 149.92 96.09 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.568 0.699 . . . . 0.0 111.167 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 150.31 67.96 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.604 2.203 . . . . 0.0 112.334 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.81 135.92 31.57 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.625 2.217 . . . . 0.0 112.363 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.1 tp -117.74 129.78 55.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -123.38 121.18 35.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.896 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -143.94 166.51 24.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.091 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -139.95 169.73 17.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.764 HG23 ' HB2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -157.82 148.02 15.7 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.574 0.702 . . . . 0.0 111.088 -179.883 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 151.14 68.9 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.605 2.203 . . . . 0.0 112.349 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.34 -17.76 40.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.0 t -75.17 5.23 5.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.812 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.54 147.73 38.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.0 m -123.47 19.34 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -169.41 141.45 2.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.896 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 15.0 t80 -125.1 98.5 35.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.638 0.733 . . . . 0.0 110.889 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 112.05 2.96 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.66 HD13 HG21 ' A' ' 42' ' ' VAL . 13.0 mt -97.53 131.39 44.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.902 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.2 p80 -118.92 178.43 4.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.14 51.39 4.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 44.2 mt -115.08 127.3 55.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 67.8 t -59.96 132.17 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.801 HD22 ' H ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -77.64 157.63 30.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 58.51 46.74 14.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.8 m -150.29 138.46 20.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -77.81 110.3 12.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.492 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 25.0 m-85 -109.44 128.77 55.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 94.3 m -104.64 119.64 39.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.108 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -109.46 141.21 42.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.166 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.2 m -133.5 120.04 20.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.165 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.505 HG22 HG13 ' A' ' 40' ' ' ILE . 62.0 t -106.32 151.73 8.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 51.9 mtm-85 -142.18 171.29 14.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -123.91 126.31 6.13 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.444 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -96.79 102.62 14.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.791 0.329 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.579 ' HD3' HG12 ' A' ' 35' ' ' VAL . 26.8 mtm180 -121.89 94.05 4.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 67.15 -153.5 52.9 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.414 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.65 3.42 2.73 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.707 2.271 . . . . 0.0 112.365 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -120.02 175.47 5.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.0 mt -127.81 166.91 17.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.52 HG22 ' CG ' ' A' ' 9' ' ' ASP . 59.0 p -105.96 177.99 4.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.144 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.3 m -71.22 129.37 89.23 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.739 0.78 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 149.26 66.05 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.684 2.256 . . . . 0.0 112.254 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 11' ' ' PRO . . . -138.19 115.58 11.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.105 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.5 t -121.65 168.85 11.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.867 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.414 HD12 ' O ' ' A' ' 14' ' ' LEU . 16.4 tt -157.51 156.47 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.066 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 14.7 m -109.24 114.54 28.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -130.63 154.04 48.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 35.3 m -107.29 127.53 53.63 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.076 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.8 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.441 ' OD2' ' NH2' ' A' ' 80' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.851 0.358 . . . . 0.0 110.891 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -116.83 -164.57 13.6 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.525 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.461 ' HG3' HG12 ' A' ' 76' ' ' VAL . 53.8 Cg_endo -69.71 124.52 11.18 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.781 2.321 . . . . 0.0 112.306 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.3 p -127.26 172.48 10.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.165 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 56.56 38.18 29.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.409 HD12 ' HB3' ' A' ' 28' ' ' TRP . 6.6 tp -62.52 128.87 38.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.8 ttm-85 -141.5 164.23 30.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.527 ' HB2' HD13 ' A' ' 90' ' ' ILE . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.072 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.539 ' HB3' ' CE2' ' A' ' 92' ' ' PHE . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.813 0.34 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -135.0 163.33 36.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.579 HD21 ' HB3' ' A' ' 74' ' ' ALA . 19.4 mt -94.08 149.53 21.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.964 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -134.91 118.92 17.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.823 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.604 ' CE3' HG11 ' A' ' 76' ' ' VAL . 1.9 p90 -129.37 153.95 47.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -92.92 121.77 65.14 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.56 0.695 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 121.17 7.86 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.712 2.274 . . . . 0.0 112.331 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.0 Cg_endo -69.75 161.85 44.33 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.703 2.269 . . . . 0.0 112.352 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 31' ' ' PRO . 0.5 OUTLIER -34.32 -54.66 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.46 121.72 54.02 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.605 0.717 . . . . 0.0 110.842 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 120.24 7.05 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.783 2.322 . . . . 0.0 112.327 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.754 HG12 ' HG2' ' A' ' 80' ' ' ARG . 5.0 m -62.06 -178.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -87.94 -59.19 2.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.1 p -141.93 145.31 34.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.092 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.71 ' CE1' HG21 ' A' ' 35' ' ' VAL . 76.4 m-85 -100.24 130.64 46.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -96.94 106.5 18.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.1 mp -106.26 136.05 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -137.01 117.22 13.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.745 HG21 HD22 ' A' ' 63' ' ' LEU . 82.3 t -109.26 130.23 62.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.2 p -146.72 174.86 11.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.198 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.695 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -168.78 159.58 8.22 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.588 0.709 . . . . 0.0 111.129 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.555 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.8 Cg_endo -69.74 -9.29 25.75 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.741 2.294 . . . . 0.0 112.299 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -147.09 37.11 1.18 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.48 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.695 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -150.65 154.9 35.73 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.569 0.7 . . . . 0.0 111.093 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.407 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.5 Cg_endo -69.82 147.32 62.24 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 145.35 57.13 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.723 2.282 . . . . 0.0 112.344 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.53 HD23 ' HB ' ' A' ' 42' ' ' VAL . 6.7 tp -130.07 135.1 47.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -132.75 128.69 37.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.531 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -150.8 172.07 16.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -147.98 155.04 41.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.449 HG23 ' HB2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -148.66 151.8 36.49 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.604 0.716 . . . . 0.0 111.105 -179.869 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 148.51 65.34 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.695 2.264 . . . . 0.0 112.329 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.559 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -51.31 -34.3 33.08 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.53 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 t -52.39 -17.88 1.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.823 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.4 152.22 22.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.2 m -128.89 14.56 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.154 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -171.03 148.0 2.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.531 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 33.5 t80 -138.69 106.08 7.59 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.645 0.736 . . . . 0.0 110.961 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 134.2 27.38 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.652 2.234 . . . . 0.0 112.32 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.745 HD22 HG21 ' A' ' 42' ' ' VAL . 14.8 mt -104.93 136.81 43.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.669 ' C ' HD12 ' A' ' 66' ' ' LEU . 12.2 p80 -122.02 177.17 5.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.815 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 63.25 41.44 7.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.669 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.6 mp -109.9 137.41 47.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 68' ' ' LEU . 86.5 t -78.39 117.6 24.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.525 HD13 ' O ' ' A' ' 94' ' ' THR . 0.6 OUTLIER -34.66 -74.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.963 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -76.51 69.69 2.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 65.9 m -163.95 135.34 4.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -85.17 127.19 34.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.493 ' CG ' HD23 ' A' ' 66' ' ' LEU . 58.4 m-85 -119.16 125.64 49.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 45.8 m -103.34 118.9 37.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.085 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.579 ' HB3' HD21 ' A' ' 26' ' ' LEU . . . -106.51 142.43 36.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.049 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.5 m -124.35 109.24 13.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.604 HG11 ' CE3' ' A' ' 28' ' ' TRP . 21.2 t -96.4 139.48 19.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 19.3 mtt85 -140.14 152.74 46.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -107.44 121.62 6.54 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.529 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -87.8 105.24 17.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.753 0.311 . . . . 0.0 110.992 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.754 ' HG2' HG12 ' A' ' 35' ' ' VAL . 21.6 mmm-85 -122.01 95.15 4.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 61.6 -152.34 42.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.567 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 3.75 2.58 Favored 'Trans proline' 0 N--CA 1.465 -0.199 0 C-N-CA 122.676 2.251 . . . . 0.0 112.369 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -117.55 176.35 5.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.957 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.5 mt -128.73 160.89 31.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 38.6 p -102.66 176.0 5.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 49.8 m -68.43 123.6 87.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.646 0.736 . . . . 0.0 110.875 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.78 144.39 53.77 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.637 2.225 . . . . 0.0 112.332 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -126.99 116.75 21.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 29.5 t -117.52 158.17 25.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.527 HD13 ' HB2' ' A' ' 16' ' ' ALA . 7.0 tt -158.84 152.48 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.453 ' N ' HG12 ' A' ' 90' ' ' ILE . 0.7 OUTLIER -109.39 117.77 34.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.539 ' CE2' ' HB3' ' A' ' 24' ' ' ALA . 41.1 p90 -130.78 124.34 31.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.2 m -79.6 140.21 37.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.105 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.525 ' O ' HD13 ' A' ' 68' ' ' LEU . 9.0 p . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.084 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.87 0.367 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.82 -155.93 7.19 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.51 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.425 ' CB ' ' HB2' ' A' ' 28' ' ' TRP . 54.5 Cg_endo -69.69 122.81 9.51 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.712 2.275 . . . . 0.0 112.387 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.3 p -126.48 177.11 6.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 51.18 36.12 15.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.505 HD23 ' CG2' ' A' ' 90' ' ' ILE . 5.8 tp -57.94 112.39 1.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.7 mtt180 -113.74 151.5 31.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 179.891 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.512 ' HB1' ' CE1' ' A' ' 92' ' ' PHE . . . . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.801 0.334 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -126.35 152.86 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.2 mt -96.25 151.22 19.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -137.66 120.32 16.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.582 ' CE3' HG11 ' A' ' 76' ' ' VAL . 2.2 p90 -129.25 154.21 47.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -94.28 125.71 51.21 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.614 0.721 . . . . 0.0 110.884 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.447 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 54.6 Cg_endo -69.71 111.91 2.93 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.628 2.219 . . . . 0.0 112.363 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.447 ' HD2' ' HA ' ' A' ' 30' ' ' PRO . 53.6 Cg_endo -69.72 167.72 23.58 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.249 . . . . 0.0 112.359 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -48.9 -51.26 30.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -72.16 111.83 12.29 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.598 0.713 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.77 113.98 3.55 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.653 2.235 . . . . 0.0 112.33 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.855 HG21 ' CE1' ' A' ' 38' ' ' TYR . 23.1 m -75.85 179.76 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.09 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -107.48 -55.96 2.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.479 ' O ' HD23 ' A' ' 79' ' ' LEU . 16.0 p -142.4 139.74 31.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.098 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.855 ' CE1' HG21 ' A' ' 35' ' ' VAL . 84.6 m-85 -96.05 129.83 43.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -95.94 103.03 14.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.1 mp -98.88 132.79 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.139 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -132.36 117.07 17.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.466 HG21 HD22 ' A' ' 63' ' ' LEU . 43.4 t -110.09 132.27 58.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 38.6 p -143.86 172.17 13.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.109 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.76 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -169.32 150.54 4.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.555 0.693 . . . . 0.0 111.176 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 82.26 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.723 2.282 . . . . 0.0 112.341 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 125.17 -17.67 7.05 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.439 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.76 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -98.45 154.6 37.49 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.566 0.698 . . . . 0.0 111.102 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 150.15 67.85 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.755 2.303 . . . . 0.0 112.343 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 148.82 65.96 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.676 2.251 . . . . 0.0 112.397 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.1 tp -133.32 132.39 41.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.44 ' C ' ' CD ' ' A' ' 51' ' ' GLN . 8.9 tm0? -124.97 135.6 52.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -155.47 145.13 21.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.045 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -125.07 161.11 27.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.519 ' OG1' ' HB3' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -156.24 139.9 11.29 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.59 0.709 . . . . 0.0 111.177 -179.907 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 151.98 69.36 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.733 2.289 . . . . 0.0 112.33 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 58' ' ' ALA . . . -45.0 -45.92 9.39 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.518 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.8 p -39.36 -25.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.937 0.399 . . . . 0.0 110.927 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.519 ' HB3' ' OG1' ' A' ' 54' ' ' THR . . . -93.03 143.94 25.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.105 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.3 m -123.47 17.3 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.7 p30 -171.23 149.43 2.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -139.89 107.07 6.9 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.673 0.749 . . . . 0.0 110.893 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 122.9 9.59 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.668 2.245 . . . . 0.0 112.364 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.466 HD22 HG21 ' A' ' 42' ' ' VAL . 10.0 mt -97.99 112.49 24.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -108.2 167.93 9.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.6 t70 70.95 44.32 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 36.0 mt -112.19 137.45 50.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.2 t -66.49 134.57 29.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.076 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.814 HD22 ' H ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -75.06 162.89 28.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 50.48 43.57 27.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 59.5 m -144.93 127.47 16.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.157 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -71.93 98.18 1.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.51 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 11.7 m-85 -93.67 121.35 35.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.7 m -95.35 123.46 38.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.062 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -112.08 153.42 26.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.055 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.2 m -137.78 116.64 12.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.582 HG11 ' CE3' ' A' ' 28' ' ' TRP . 45.0 t -109.38 142.52 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 -138.7 179.86 6.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -129.53 128.71 5.81 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.479 HD23 ' O ' ' A' ' 37' ' ' THR . 4.3 mm? -87.58 92.65 9.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.773 0.32 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.566 ' HG3' HG12 ' A' ' 35' ' ' VAL . 42.0 mtp180 -112.85 97.1 6.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.813 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.412 ' HA3' ' HD2' ' A' ' 82' ' ' PRO . . . 64.4 -147.89 50.97 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.496 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.412 ' HD2' ' HA3' ' A' ' 81' ' ' GLY . 53.4 Cg_endo -69.74 3.1 2.96 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.728 2.285 . . . . 0.0 112.308 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -133.37 174.94 9.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.954 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.5 mp -123.25 166.17 15.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.938 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 19.5 p -86.19 178.48 7.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.197 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.0 m -66.47 132.49 94.26 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.664 0.745 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 137.18 34.72 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.715 2.277 . . . . 0.0 112.295 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -125.8 115.57 20.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.7 t -117.5 149.7 40.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.505 ' CG2' HD23 ' A' ' 14' ' ' LEU . 17.6 tt -145.85 147.98 17.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.158 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.1 m -101.92 118.44 36.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.512 ' CE1' ' HB1' ' A' ' 24' ' ' ALA . 38.9 p90 -136.21 133.91 37.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 88.6 m -84.47 132.12 34.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.3 p . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.179 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.541 ' OD1' ' ND2' ' A' ' 33' ' ' ASN . 40.6 m-20 . . . . . 0 C--O 1.23 0.028 0 CA-C-O 120.889 0.376 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.0 -165.05 18.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.548 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 141.88 46.54 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.7 2.266 . . . . 0.0 112.354 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.8 p -143.8 -179.64 6.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.145 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 53.39 29.35 8.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.607 HD23 ' HB ' ' A' ' 90' ' ' ILE . 4.6 tp -60.38 139.96 57.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.417 ' HA ' HD13 ' A' ' 90' ' ' ILE . 32.2 mtp180 -154.46 155.69 35.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.094 179.948 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.906 0.384 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -127.54 162.79 32.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.5 mt -100.16 142.36 31.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.424 ' O ' HD12 ' A' ' 14' ' ' LEU . 10.7 t-80 -125.97 118.88 26.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.856 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.491 ' HB3' ' CD1' ' A' ' 14' ' ' LEU . 1.9 p90 -129.46 154.12 47.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.37 123.05 61.61 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.588 0.709 . . . . 0.0 110.923 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.422 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 53.6 Cg_endo -69.7 115.23 3.99 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.702 2.268 . . . . 0.0 112.353 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 32' ' ' GLN . 54.3 Cg_endo -69.74 150.63 68.57 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.383 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 31' ' ' PRO . 8.5 tp-100 -34.26 -46.01 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.541 ' ND2' ' OD1' ' A' ' 9' ' ' ASP . 1.0 OUTLIER -92.57 106.78 19.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.62 0.724 . . . . 0.0 110.899 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 116.13 4.42 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.696 2.264 . . . . 0.0 112.383 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.671 HG12 ' HG3' ' A' ' 80' ' ' ARG . 27.0 m -65.15 -175.68 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.127 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -97.65 -53.19 3.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.814 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.0 p -140.76 137.24 33.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.813 ' HB2' HG23 ' A' ' 54' ' ' THR . 84.7 m-85 -94.86 125.53 39.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -95.75 112.41 24.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.826 HG12 HG22 ' A' ' 76' ' ' VAL . 19.9 mt -113.52 135.98 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -129.67 107.92 9.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.846 HG21 HD22 ' A' ' 63' ' ' LEU . 2.0 t -103.18 118.41 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.6 p -138.56 161.12 37.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.47 154.7 16.06 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.64 0.733 . . . . 0.0 111.09 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.87 95.23 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.595 2.197 . . . . 0.0 112.352 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.02 17.25 6.89 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.447 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -142.23 156.8 64.28 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.585 0.707 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.447 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 54.0 Cg_endo -69.77 158.15 57.93 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.647 2.231 . . . . 0.0 112.375 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 146.05 59.44 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.632 2.221 . . . . 0.0 112.352 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.491 ' CD1' ' C ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -112.29 121.37 44.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.47 ' N ' HD13 ' A' ' 50' ' ' LEU . 4.6 tm0? -125.98 114.5 18.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.447 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -155.04 143.12 20.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -120.84 160.09 24.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.955 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.813 HG23 ' HB2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -145.5 152.28 49.16 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.595 0.712 . . . . 0.0 111.16 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 149.6 67.55 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.258 . . . . 0.0 112.308 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.486 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -59.49 -15.01 30.43 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.7 t -79.21 11.68 2.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.807 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -110.75 157.16 20.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.091 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.695 HG23 ' OD2' ' A' ' 60' ' ' ASP . 29.7 m -125.96 -7.95 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.171 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.695 ' OD2' HG23 ' A' ' 59' ' ' VAL . 6.7 m-20 -154.24 150.36 27.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.447 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 15.8 t80 -134.97 99.36 12.46 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.757 0.789 . . . . 0.0 110.877 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 61' ' ' TYR . 53.8 Cg_endo -69.66 117.66 5.21 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.743 2.296 . . . . 0.0 112.338 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.846 HD22 HG21 ' A' ' 42' ' ' VAL . 4.4 mt -92.72 132.92 36.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.949 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -117.63 164.73 14.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.4 t0 71.17 47.34 0.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.489 HD11 ' HB2' ' A' ' 63' ' ' LEU . 55.2 mt -110.57 120.25 41.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 86.4 t -54.92 130.88 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.195 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.434 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 1.2 mm? -77.74 158.14 29.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 61.15 46.67 7.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.8 m -157.89 130.79 7.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -72.38 111.24 7.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -104.29 133.17 49.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 56.1 m -102.01 119.97 39.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.103 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -111.84 131.29 55.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.0 m -123.65 119.72 30.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.826 HG22 HG12 ' A' ' 40' ' ' ILE . 24.8 t -105.99 145.52 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.5 mtm-85 -138.96 168.03 20.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -120.85 134.84 10.44 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.444 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -100.41 102.35 13.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.797 0.332 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.671 ' HG3' HG12 ' A' ' 35' ' ' VAL . 24.9 mtp180 -122.06 94.16 4.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.68 -152.88 50.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 3.54 2.7 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.783 2.322 . . . . 0.0 112.283 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -119.42 177.59 4.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.3 mt -128.46 164.98 21.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 40.3 p -102.31 176.53 5.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 82.6 p -69.21 124.13 89.76 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.683 0.754 . . . . 0.0 110.918 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 138.91 39.03 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.742 2.294 . . . . 0.0 112.386 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -122.8 115.66 22.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.9 t -108.22 152.69 24.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.837 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.607 ' HB ' HD23 ' A' ' 14' ' ' LEU . 1.4 tp -142.21 139.72 29.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.13 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.486 ' N ' HG13 ' A' ' 90' ' ' ILE . 34.0 m -109.55 110.02 20.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.158 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -135.84 155.64 50.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 57.6 m -99.72 138.51 36.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.5 p . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.51 ' HB2' HG22 ' A' ' 85' ' ' THR . 4.3 m-20 . . . . . 0 C--O 1.229 0.018 0 CA-C-O 120.923 0.392 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -107.02 -166.75 22.27 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.446 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.415 ' HG3' HG12 ' A' ' 76' ' ' VAL . 53.9 Cg_endo -69.74 138.66 38.43 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.644 2.229 . . . . 0.0 112.383 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.7 p -137.29 174.05 11.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 49.99 35.92 10.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 28' ' ' TRP . 8.8 tp -58.1 130.49 46.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -135.93 -178.92 5.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.128 179.871 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.792 0.33 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -135.03 163.77 35.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.406 HD11 HD11 ' A' ' 63' ' ' LEU . 20.6 mt -101.48 141.4 34.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.94 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -125.81 119.15 27.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.761 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.485 ' CZ2' ' CD2' ' A' ' 38' ' ' TYR . 1.7 p90 -129.25 149.03 51.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -90.57 122.56 66.99 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.599 0.714 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 123.61 10.27 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.68 2.253 . . . . 0.0 112.334 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.7 Cg_endo -69.78 163.84 36.78 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.377 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 31' ' ' PRO . 6.3 tt0 -37.6 -48.08 0.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -104.38 121.43 47.38 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.591 0.71 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.63 129.09 17.13 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.703 2.269 . . . . 0.0 112.356 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.622 HG21 ' CE1' ' A' ' 38' ' ' TYR . 33.2 m -71.52 -174.87 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.174 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -95.62 -57.76 2.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.1 p -140.7 142.93 34.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.108 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.622 ' CE1' HG21 ' A' ' 35' ' ' VAL . 71.5 m-85 -99.66 126.39 45.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -95.43 97.05 9.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.407 ' N ' HD12 ' A' ' 40' ' ' ILE . 5.2 mp -97.31 138.83 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -137.92 109.58 7.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.649 HG21 HD22 ' A' ' 63' ' ' LEU . 96.1 t -99.94 127.35 52.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.8 p -146.75 168.52 21.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.212 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.416 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -173.68 154.64 2.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.575 0.702 . . . . 0.0 111.098 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 107.73 1.93 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.644 2.229 . . . . 0.0 112.342 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.77 20.23 37.78 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.416 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -136.18 152.69 75.77 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.538 0.685 . . . . 0.0 111.095 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 132.37 23.19 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.398 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.64 147.17 63.07 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.67 2.246 . . . . 0.0 112.312 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' ' 51' ' ' GLN . 3.5 tp -132.98 130.56 39.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.526 ' N ' HD12 ' A' ' 50' ' ' LEU . 60.0 tt0 -130.95 140.4 50.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.605 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -159.16 177.96 10.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -145.86 159.53 43.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.2 t -156.51 144.46 14.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.58 0.705 . . . . 0.0 111.203 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.75 146.28 59.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.651 2.234 . . . . 0.0 112.342 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.449 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -42.58 -40.18 3.7 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.465 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' GLY . 3.7 m -37.61 -32.49 0.05 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.902 0.382 . . . . 0.0 110.923 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 56' ' ' GLY . . . -87.44 150.43 23.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.048 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.2 m -125.94 16.42 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -166.89 146.64 5.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.605 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 11.6 t80 -132.22 99.25 16.31 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.691 0.758 . . . . 0.0 111.002 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 61' ' ' TYR . 54.0 Cg_endo -69.72 129.02 16.91 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.649 HD22 HG21 ' A' ' 42' ' ' VAL . 4.3 mt -111.36 136.48 50.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -120.14 178.2 4.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.816 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 59.48 55.07 4.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.432 ' CB ' HG21 ' A' ' 94' ' ' THR . 10.0 mt -124.9 123.98 41.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.1 t -58.51 113.54 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.149 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.679 HD22 ' H ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -42.04 -63.17 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.961 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -74.34 61.54 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.1 m -167.44 121.75 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -79.95 108.51 13.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -92.37 122.04 34.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.959 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 78.5 m -89.65 119.08 29.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.173 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -107.86 143.46 36.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.5 m -128.32 105.04 8.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.084 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.474 HG11 ' CE3' ' A' ' 28' ' ' TRP . 24.8 t -91.53 144.11 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.807 ' HD2' HD11 ' A' ' 84' ' ' LEU . 49.2 mtm-85 -139.74 163.84 31.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.472 ' O ' HG23 ' A' ' 85' ' ' THR . . . -121.61 114.15 2.48 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.61 103.69 16.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.834 0.349 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.501 ' HG3' HG12 ' A' ' 35' ' ' VAL . 45.5 mtp180 -121.73 96.83 5.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 67.26 -152.7 52.8 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 2.93 3.08 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.616 2.211 . . . . 0.0 112.379 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -121.06 162.9 19.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.807 HD11 ' HD2' ' A' ' 77' ' ' ARG . 7.9 tp -120.32 151.5 39.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.51 HG22 ' HB2' ' A' ' 9' ' ' ASP . 33.7 p -91.39 168.24 11.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.1 p -66.41 128.77 94.02 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 121.637 0.732 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 152.68 69.26 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.67 2.246 . . . . 0.0 112.322 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -139.12 115.52 10.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.5 t -114.16 167.98 10.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.828 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 11.8 tt -162.48 147.97 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.134 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 5.5 m -100.33 119.95 39.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.148 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -138.96 130.12 26.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.44 142.63 32.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.432 HG21 ' CB ' ' A' ' 66' ' ' LEU . 3.3 p . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.0 p -57.1 100.89 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 110.83 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.2 p -123.7 102.81 8.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.815 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.02 163.93 38.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.45 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -91.48 115.07 27.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 0.0 110.853 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 t -146.11 152.3 39.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.81 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.03 146.29 16.91 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.469 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.632 ' HG3' HG21 ' A' ' 12' ' ' THR . 53.7 Cg_endo -69.8 -165.81 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.667 2.245 . . . . 0.0 112.338 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.455 ' HB2' HG22 ' A' ' 85' ' ' THR . 65.6 m-20 -89.0 -19.4 25.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.89 -177.65 20.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.438 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.431 ' HG3' HG12 ' A' ' 76' ' ' VAL . 53.9 Cg_endo -69.74 137.01 34.52 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.656 2.237 . . . . 0.0 112.344 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.632 HG21 ' HG3' ' A' ' 8' ' ' PRO . 5.7 p -140.58 173.43 11.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.174 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 55.21 40.14 31.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.875 HD23 ' CG2' ' A' ' 90' ' ' ILE . 6.2 tp -58.71 125.21 22.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.977 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.416 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 47.5 ttt85 -122.93 154.86 37.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.921 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.416 ' N ' ' HG2' ' A' ' 15' ' ' ARG . . . -99.17 105.13 17.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.817 HD23 ' H ' ' A' ' 18' ' ' ASN . 1.5 tt -74.53 166.84 22.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.817 ' H ' HD23 ' A' ' 17' ' ' LEU . 1.7 t-20 -71.1 120.75 17.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.687 ' H ' HD22 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.19 161.45 13.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.6 m -127.05 131.35 50.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 38.38 39.37 0.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 75.87 45.31 17.03 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.514 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.462 ' CZ ' ' HB2' ' A' ' 62' ' ' PRO . 2.2 t80 -123.16 113.85 19.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.958 0.408 . . . . 0.0 110.893 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.502 ' HA ' HD12 ' A' ' 19' ' ' LEU . . . -97.24 125.06 41.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.104 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.418 ' CG1' ' HB3' ' A' ' 62' ' ' PRO . 1.8 m -134.6 164.87 32.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.177 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.1 mt -104.38 151.67 23.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.433 ' NE2' HD13 ' A' ' 17' ' ' LEU . 21.7 m-70 -138.34 118.99 13.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.598 ' CE3' HG11 ' A' ' 76' ' ' VAL . 2.3 p90 -127.75 153.76 46.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -93.68 124.06 58.03 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.554 0.692 . . . . 0.0 110.891 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 125.8 12.63 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.682 2.255 . . . . 0.0 112.357 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 32' ' ' GLN . 54.3 Cg_endo -69.83 166.09 28.86 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 31' ' ' PRO . 18.5 tp60 -37.28 -45.47 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.953 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.64 123.26 35.2 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.668 0.746 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 141.68 45.52 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.311 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.765 HG12 ' CG ' ' A' ' 80' ' ' ARG . 9.5 m -85.38 -176.0 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -97.05 -49.91 4.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.823 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.2 p -142.11 139.24 32.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.166 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.695 ' CE1' HG21 ' A' ' 35' ' ' VAL . 94.6 m-85 -101.33 126.46 48.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -94.99 113.81 25.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.458 HG13 HG22 ' A' ' 76' ' ' VAL . 4.5 mp -112.2 136.53 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -130.45 113.93 14.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.8 t -104.77 126.61 59.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.1 p -146.98 160.67 42.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.66 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -159.97 162.56 24.25 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.622 0.725 . . . . 0.0 111.052 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.655 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.8 Cg_endo -69.74 88.4 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.723 2.282 . . . . 0.0 112.4 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.32 -38.01 3.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.66 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -70.05 151.87 95.97 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.616 0.722 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 147.96 64.0 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 143.17 49.85 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.692 2.261 . . . . 0.0 112.286 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.6 tp -129.8 130.11 44.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -127.3 136.19 51.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.561 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -156.22 177.02 11.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.091 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -150.09 156.25 41.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.658 HG23 ' HB2' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -141.67 147.55 46.14 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.555 0.693 . . . . 0.0 111.132 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 146.47 60.29 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.68 2.253 . . . . 0.0 112.315 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.63 -16.59 5.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.494 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 92.4 p -81.9 17.21 1.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 110.879 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.25 140.93 51.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.002 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.8 m -121.75 25.53 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -169.39 138.37 1.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.561 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 11.2 t80 -132.9 96.44 17.99 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.639 0.733 . . . . 0.0 110.965 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.462 ' HB2' ' CZ ' ' A' ' 23' ' ' PHE . 53.2 Cg_endo -69.78 123.59 10.24 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.66 2.24 . . . . 0.0 112.387 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.3 mt -102.15 134.98 44.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.618 ' C ' HD12 ' A' ' 66' ' ' LEU . 1.1 p80 -121.52 179.52 4.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 63.72 31.95 14.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.79 ' HB3' HG21 ' A' ' 94' ' ' THR . 5.5 mp -99.91 135.35 41.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.403 HG23 ' OH ' ' A' ' 72' ' ' TYR . 89.2 t -69.5 115.19 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.159 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.779 HD13 ' O ' ' A' ' 94' ' ' THR . 0.5 OUTLIER -38.64 -70.89 0.09 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -75.33 70.14 2.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.4 m -169.94 126.96 0.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -82.47 109.73 16.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.559 ' CD2' HD23 ' A' ' 66' ' ' LEU . 67.2 m-85 -96.84 120.58 37.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 62.0 m -94.49 119.1 32.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -107.8 146.54 32.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.093 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.6 m -131.55 102.75 6.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.598 HG11 ' CE3' ' A' ' 28' ' ' TRP . 21.5 t -89.05 146.79 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.434 ' NH2' ' HB3' ' A' ' 84' ' ' LEU . 5.1 mtp180 -139.86 174.12 10.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.54 ' O ' HG23 ' A' ' 85' ' ' THR . . . -126.8 113.52 1.79 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.451 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -84.76 100.35 11.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.765 ' CG ' HG12 ' A' ' 35' ' ' VAL . 30.5 mmm-85 -118.25 94.66 4.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.14 -152.23 52.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.539 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 3.67 2.62 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.671 2.248 . . . . 0.0 112.382 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -120.84 175.89 5.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.434 ' HB3' ' NH2' ' A' ' 77' ' ' ARG . 6.1 mt -125.72 167.0 15.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.915 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 78' ' ' GLY . 45.3 p -107.34 177.34 4.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.147 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 53.1 p -70.59 124.82 91.58 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.699 0.762 . . . . 0.0 110.812 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 151.8 68.75 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.746 2.297 . . . . 0.0 112.319 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -131.5 115.7 16.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.7 t -114.85 153.79 29.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.875 ' CG2' HD23 ' A' ' 14' ' ' LEU . 12.1 tt -158.58 150.09 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.5 m -101.85 126.87 48.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.538 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 29.0 p90 -145.99 124.29 12.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.1 m -74.07 145.33 44.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.79 HG21 ' HB3' ' A' ' 66' ' ' LEU . 0.8 OUTLIER -93.62 23.02 4.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -148.01 90.42 0.14 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.448 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.447 ' O ' ' CD ' ' A' ' 97' ' ' GLU . 12.2 tp -124.35 38.94 4.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.349 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.447 ' CD ' ' O ' ' A' ' 96' ' ' LEU . 15.5 mp0 -160.18 113.59 2.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -172.26 143.57 1.31 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.528 0.68 . . . . 0.0 111.118 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 100' ' ' ARG . 53.5 Cg_endo -69.77 136.83 33.95 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.605 2.204 . . . . 0.0 112.365 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 99' ' ' PRO . 37.2 mtm-85 34.61 50.06 0.4 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -120.62 -44.5 2.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.6 mp -98.65 -50.35 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.954 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -69.03 -54.16 16.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.24 164.35 26.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -93.71 -33.06 13.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 55.32 43.65 28.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.441 ' O ' HG23 ' A' ' 107' ' ' VAL . 35.0 m -114.44 125.02 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.158 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.668 HG23 ' O ' ' A' ' 108' ' ' THR . 10.2 t -124.89 87.0 55.72 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.596 0.712 . . . . 0.0 111.151 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 117.41 5.07 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.301 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 76.1 p -88.19 116.24 26.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -135.32 69.48 0.52 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -178.79 2.5 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.711 2.274 . . . . 0.0 112.298 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.2 t -150.04 158.65 44.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.3 t -160.42 168.18 25.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.445 -179.956 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -56.28 177.79 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.841 0.353 . . . . 0.0 110.798 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 m -127.93 123.96 36.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.81 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.78 -118.02 1.8 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.527 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.3 t 40.38 43.11 1.41 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.912 0.387 . . . . 0.0 110.931 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.3 t -123.31 108.57 12.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.897 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.63 84.16 0.22 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 163.21 39.09 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.71 2.274 . . . . 0.0 112.345 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -99.97 22.88 10.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -116.16 179.73 17.9 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.45 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.585 ' HG3' HG12 ' A' ' 76' ' ' VAL . 53.5 Cg_endo -69.76 129.25 17.26 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.713 2.275 . . . . 0.0 112.322 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.7 p -134.19 168.97 17.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 67.01 28.93 8.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.531 HD23 ' HB ' ' A' ' 90' ' ' ILE . 3.8 tp -59.54 137.35 58.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -153.47 164.25 38.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -113.69 106.34 14.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.1 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.74 170.03 16.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -70.62 104.6 2.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.685 HD22 ' HA ' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -122.03 174.07 7.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.532 HG21 ' CD2' ' A' ' 23' ' ' PHE . 14.6 t -41.86 153.49 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -85.58 43.02 1.0 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -148.35 -71.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.534 ' O ' ' CD1' ' A' ' 23' ' ' PHE . 1.3 p90 -99.43 127.08 45.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.923 0.392 . . . . 0.0 110.85 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.685 ' HA ' HD22 ' A' ' 19' ' ' LEU . . . -99.98 162.91 12.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.4 ' H ' ' CD2' ' A' ' 19' ' ' LEU . 1.5 m -135.14 165.07 31.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.079 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.2 mt -109.32 122.19 46.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -108.98 118.76 37.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.828 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.456 ' CD1' ' C ' ' A' ' 28' ' ' TRP . 1.7 p90 -129.57 154.17 47.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -97.12 129.37 32.4 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.648 0.737 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.62 122.43 9.15 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.367 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 32' ' ' GLN . 54.1 Cg_endo -69.67 160.65 48.91 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.696 2.264 . . . . 0.0 112.349 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 31' ' ' PRO . 51.1 tp60 -34.09 -54.87 0.5 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -96.67 122.28 57.49 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.599 0.714 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 143.99 52.33 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.713 2.275 . . . . 0.0 112.261 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.9 m -92.11 -174.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -101.37 -53.72 2.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.0 137.65 31.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.232 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.613 ' HB2' HG23 ' A' ' 54' ' ' THR . 79.8 m-85 -95.53 129.44 42.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.872 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -97.01 105.72 17.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.2 mp -107.46 142.16 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.67 125.73 27.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.695 HG21 HD22 ' A' ' 63' ' ' LEU . 22.8 t -113.06 126.9 70.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.166 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.1 p -147.1 165.32 30.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.185 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.48 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -171.09 157.43 4.93 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.593 0.711 . . . . 0.0 111.077 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.48 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.2 Cg_endo -69.81 102.09 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.607 2.204 . . . . 0.0 112.346 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.1 31.49 7.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.46 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.22 151.26 51.21 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.597 0.713 . . . . 0.0 111.091 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 144.66 54.73 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.659 2.239 . . . . 0.0 112.337 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.75 148.33 64.9 Favored 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 122.673 2.249 . . . . 0.0 112.427 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.3 tp -135.33 132.5 37.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.844 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -127.05 133.55 50.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.698 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -150.49 162.02 41.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -139.96 159.41 42.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.613 HG23 ' HB2' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -149.6 146.17 20.33 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.583 0.706 . . . . 0.0 111.154 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 148.33 65.27 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.712 2.274 . . . . 0.0 112.372 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.56 -13.81 3.16 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.534 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.1 t -77.66 8.56 4.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.836 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.73 143.8 49.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.124 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.0 m -123.79 23.63 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -170.55 131.84 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.698 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 15.5 t80 -128.43 96.39 30.71 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.662 0.744 . . . . 0.0 110.957 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 61' ' ' TYR . 53.4 Cg_endo -69.81 128.15 15.57 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.697 2.265 . . . . 0.0 112.271 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.695 HD22 HG21 ' A' ' 42' ' ' VAL . 4.2 mt -102.33 136.16 42.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -122.19 173.54 7.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.812 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.4 t70 65.18 50.26 1.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.1 mt -114.18 141.04 48.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 81.7 t -81.82 130.51 35.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.722 HD22 ' H ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -70.46 177.49 3.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 45.56 35.42 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.2 m -141.84 146.46 35.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -92.22 105.32 17.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -97.3 129.88 44.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.8 m -105.05 127.29 52.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.161 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.459 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -115.51 152.06 33.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.028 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.3 m -140.1 110.8 6.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.585 HG12 ' HG3' ' A' ' 11' ' ' PRO . 49.6 t -99.16 141.89 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.154 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 44.7 mtm-85 -139.58 159.25 42.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.429 ' O ' HG23 ' A' ' 85' ' ' THR . . . -111.41 120.3 5.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.503 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -88.18 101.02 13.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.844 0.354 . . . . 0.0 110.956 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -118.63 97.0 5.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 59.31 -150.71 36.87 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.411 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.64 3.64 2.6 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.735 2.29 . . . . 0.0 112.353 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -118.94 174.99 5.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.8 mt -128.64 165.27 21.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.949 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 78' ' ' GLY . 36.2 p -104.75 177.94 4.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 91.3 p -70.75 127.42 91.87 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.667 0.746 . . . . 0.0 110.851 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 145.6 57.62 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.336 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -135.06 115.47 13.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 74' ' ' ALA . 7.5 t -119.61 168.89 10.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.531 ' HB ' HD23 ' A' ' 14' ' ' LEU . 13.7 tt -157.41 155.92 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.141 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.424 ' N ' HG12 ' A' ' 90' ' ' ILE . 3.7 m -110.44 110.04 20.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.581 ' CE2' ' HB3' ' A' ' 24' ' ' ALA . 39.4 p90 -131.66 129.62 41.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.511 HG21 HD21 ' A' ' 96' ' ' LEU . 2.3 m -88.0 142.01 28.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.081 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.9 p -100.79 117.6 35.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 123.23 -69.04 0.46 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.483 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.511 HD21 HG21 ' A' ' 93' ' ' THR . 3.9 pp -76.25 5.17 7.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.751 0.31 . . . . 0.0 110.834 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 96' ' ' LEU . 58.6 mt-10 -37.06 -44.33 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.504 ' HB3' HD11 ' A' ' 102' ' ' LEU . . . -37.35 145.89 0.27 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.609 0.718 . . . . 0.0 111.065 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -163.91 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.331 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 42.5 mtt85 -75.61 57.65 0.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.7 p-10 -132.2 8.53 4.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.504 HD11 ' HB3' ' A' ' 98' ' ' ALA . 45.7 mt -87.27 117.41 26.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.945 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 44.22 51.65 7.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -109.37 154.02 23.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 39.6 mmtt -120.83 121.51 38.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.95 157.78 16.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 97.0 t -118.5 101.81 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.8 t -72.47 141.7 83.26 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.617 0.722 . . . . 0.0 111.128 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 161.57 45.44 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.669 2.246 . . . . 0.0 112.295 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.5 t -135.77 175.77 9.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -174.03 145.77 8.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.456 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 159.2 54.28 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.718 2.279 . . . . 0.0 112.304 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.8 t -146.78 133.01 19.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.814 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.9 m -167.78 167.85 12.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.894 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.413 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -100.41 152.75 19.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 0.0 110.836 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -57.57 110.27 0.85 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.819 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.58 150.44 17.37 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t 72.05 44.02 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.928 0.394 . . . . 0.0 110.905 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.3 p -121.45 118.68 29.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.836 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.9 84.52 0.31 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.424 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.622 ' HG3' HG21 ' A' ' 12' ' ' THR . 54.4 Cg_endo -69.74 -166.99 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.712 2.275 . . . . 0.0 112.371 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -92.69 -26.11 17.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.417 ' N ' ' HB ' ' A' ' 85' ' ' THR . . . -107.08 -179.31 22.6 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.462 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 135.3 30.08 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.622 HG21 ' HG3' ' A' ' 8' ' ' PRO . 2.0 p -135.73 -179.99 5.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.179 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 48.6 41.47 17.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 28' ' ' TRP . 7.4 tp -58.93 132.16 53.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.427 ' NH1' ' HB3' ' A' ' 15' ' ' ARG . 1.1 ptp180 -121.33 166.72 13.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -127.93 106.2 8.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.932 HD23 ' N ' ' A' ' 18' ' ' ASN . 5.7 tt -76.91 165.44 24.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.932 ' N ' HD23 ' A' ' 17' ' ' LEU . 2.1 m120 -71.12 114.13 8.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.719 ' H ' HD22 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -73.62 136.06 43.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.5 t -131.66 138.52 48.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.225 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 68.32 29.08 6.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.21 53.99 35.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.574 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 62' ' ' PRO . 1.7 t80 -134.92 107.96 7.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.85 0.357 . . . . 0.0 110.825 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.436 ' HA ' HD12 ' A' ' 19' ' ' LEU . . . -100.12 127.77 46.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.096 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.407 HG12 ' HB3' ' A' ' 62' ' ' PRO . 1.3 m -134.47 156.71 40.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.128 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.446 HD11 HD11 ' A' ' 63' ' ' LEU . 20.1 mt -105.55 142.49 35.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -123.79 119.72 30.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.48 ' CE3' HG11 ' A' ' 76' ' ' VAL . 1.9 p90 -129.25 153.95 47.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -91.2 120.53 68.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.535 0.684 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.84 119.92 6.78 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.62 2.213 . . . . 0.0 112.384 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 32' ' ' GLN . 54.6 Cg_endo -69.69 154.89 67.47 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.687 2.258 . . . . 0.0 112.325 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 31' ' ' PRO . 55.3 tt0 -35.04 -40.92 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.442 ' HA ' ' HD2' ' A' ' 34' ' ' PRO . 3.1 p30 -106.74 103.68 47.96 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.57 0.7 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.442 ' HD2' ' HA ' ' A' ' 33' ' ' ASN . 54.7 Cg_endo -69.71 121.19 7.89 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.732 2.288 . . . . 0.0 112.366 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.597 HG12 ' HG3' ' A' ' 80' ' ' ARG . 23.5 m -61.42 -175.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.128 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -96.11 -48.09 5.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.422 ' HB ' ' CD ' ' A' ' 53' ' ' GLU . 4.0 p -141.2 136.74 32.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.548 ' HB2' HG23 ' A' ' 54' ' ' THR . 64.3 m-85 -97.68 126.85 43.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -98.37 106.21 18.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.685 HG13 HG13 ' A' ' 76' ' ' VAL . 5.3 mp -106.6 139.37 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.115 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -131.08 120.51 23.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.686 HG21 HD22 ' A' ' 63' ' ' LEU . 93.2 t -108.84 133.24 54.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 76.1 p -145.11 166.94 23.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.173 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.831 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -161.01 162.67 22.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.534 0.683 . . . . 0.0 111.184 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.658 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.7 Cg_endo -69.79 86.66 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.717 2.278 . . . . 0.0 112.27 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 112.85 -33.62 5.52 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.537 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.831 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -71.62 152.38 93.65 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.599 0.714 . . . . 0.0 111.106 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 150.18 67.88 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.618 2.212 . . . . 0.0 112.312 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 145.99 58.6 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.347 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.3 tp -128.65 132.12 48.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -123.78 123.36 40.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.625 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -135.87 168.87 18.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.422 ' CD ' ' HB ' ' A' ' 37' ' ' THR . 1.2 tm-20 -150.06 153.37 36.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.548 HG23 ' HB2' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -150.41 146.22 19.58 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.635 0.731 . . . . 0.0 111.097 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 147.77 63.42 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.643 2.229 . . . . 0.0 112.302 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -52.44 -15.93 3.2 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.449 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.4 p -72.79 0.9 9.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.915 0.388 . . . . 0.0 110.837 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -115.37 146.12 41.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.065 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.8 m -121.82 20.21 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.065 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -170.15 142.05 2.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.625 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 29.3 t80 -133.57 99.49 14.24 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.63 0.729 . . . . 0.0 110.949 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.619 ' O ' ' CE1' ' A' ' 64' ' ' HIS . 53.8 Cg_endo -69.73 107.93 1.96 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.686 HD22 HG21 ' A' ' 42' ' ' VAL . 5.0 mt -81.66 131.43 35.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.619 ' CE1' ' O ' ' A' ' 62' ' ' PRO . 0.9 OUTLIER -116.25 170.65 8.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.869 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.9 t70 68.05 52.81 0.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.803 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.581 ' HB3' HG21 ' A' ' 94' ' ' THR . 75.6 mt -116.62 128.41 55.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 72.7 t -65.41 130.76 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.76 HD22 ' H ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -70.64 174.69 5.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 13.0 m170 44.52 32.92 0.81 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 78.6 m -145.39 142.81 29.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.078 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -85.46 127.3 34.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -114.59 125.79 54.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.9 m -96.71 126.35 41.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.162 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -115.54 145.99 42.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.9 m -133.7 106.02 7.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.685 HG13 HG13 ' A' ' 40' ' ' ILE . 15.8 t -93.26 144.8 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.159 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 33.3 mtm-85 -140.27 172.5 12.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.496 ' O ' HD23 ' A' ' 84' ' ' LEU . . . -125.26 129.79 7.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -98.08 101.73 13.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.361 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.597 ' HG3' HG12 ' A' ' 35' ' ' VAL . 23.4 mtp180 -121.43 95.1 4.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 63.33 -152.11 47.63 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 3.45 2.81 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.27 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -121.27 173.92 7.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.496 HD23 ' O ' ' A' ' 78' ' ' GLY . 9.8 mt -128.57 161.57 29.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.417 ' HB ' ' N ' ' A' ' 10' ' ' GLY . 27.8 p -99.6 177.83 5.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.202 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 73.9 m -70.09 129.83 90.34 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.612 0.72 . . . . 0.0 110.802 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 159.58 52.87 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.692 2.261 . . . . 0.0 112.327 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -147.12 115.44 6.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.136 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 74' ' ' ALA . 4.1 t -122.47 166.22 15.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 20.6 tt -158.36 159.89 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.5 m -107.0 123.06 47.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.112 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 92' ' ' PHE . 8.7 p90 -142.6 149.13 38.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.3 m -97.78 147.04 24.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.177 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.581 HG21 ' HB3' ' A' ' 66' ' ' LEU . 3.2 p -98.79 168.9 9.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 39.94 41.66 2.01 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.536 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 16.2 tp -78.96 61.82 3.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.747 0.308 . . . . 0.0 110.852 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -138.2 134.96 35.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -159.24 143.69 11.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.554 0.692 . . . . 0.0 111.15 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 -7.69 21.72 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.703 2.269 . . . . 0.0 112.236 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 51.5 mtp180 -124.91 144.01 50.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.4 106.24 0.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.8 mt -46.24 -39.46 9.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -80.98 173.83 12.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.828 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -114.82 138.45 50.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.085 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -84.05 124.03 30.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -59.67 110.97 1.26 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.944 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.528 ' O ' HG23 ' A' ' 107' ' ' VAL . 34.7 m -74.95 118.43 20.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.115 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 32.6 p -96.74 143.49 26.21 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.535 0.684 . . . . 0.0 111.127 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 144.28 53.79 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 17.7 m -125.24 105.33 9.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -54.53 144.18 30.19 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.509 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 156.75 62.54 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.691 2.26 . . . . 0.0 112.327 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.7 t -130.61 151.87 50.61 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.802 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.8 t -159.6 174.28 14.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.837 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.544 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.3 p 39.96 40.23 0.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.875 0.369 . . . . 0.0 110.779 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.4 m -148.18 130.92 16.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.71 -155.25 6.71 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.515 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t -55.82 -176.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.882 0.372 . . . . 0.0 110.882 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.3 p -100.89 63.9 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.4 74.17 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.509 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.41 ' HG3' HG21 ' A' ' 12' ' ' THR . 53.7 Cg_endo -69.75 -165.15 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.637 2.225 . . . . 0.0 112.375 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.521 ' HB2' HG22 ' A' ' 85' ' ' THR . 1.8 m-20 -102.52 -15.07 16.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.9 -179.62 17.27 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.541 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.447 ' HG3' HG12 ' A' ' 76' ' ' VAL . 54.3 Cg_endo -69.72 138.3 37.62 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.256 . . . . 0.0 112.334 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.41 HG21 ' HG3' ' A' ' 8' ' ' PRO . 7.8 p -141.98 177.46 8.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 52.6 45.22 29.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.507 HD23 ' CG2' ' A' ' 90' ' ' ILE . 5.3 tp -67.24 131.03 44.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.402 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 68.6 ttt180 -128.25 157.14 41.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.402 ' N ' ' HG2' ' A' ' 15' ' ' ARG . . . -102.38 105.76 16.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.509 HD21 HG22 ' A' ' 25' ' ' VAL . 1.3 pt? -80.82 171.07 15.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -72.15 130.36 40.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.5 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -63.99 160.29 18.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.951 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.407 ' O ' HG23 ' A' ' 20' ' ' THR . 3.7 t -131.52 117.28 18.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 49.66 48.43 21.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.23 34.48 89.66 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.524 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.447 ' CZ ' ' HB2' ' A' ' 62' ' ' PRO . 3.2 t80 -124.76 108.09 11.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.362 . . . . 0.0 110.924 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.91 126.88 44.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.061 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.509 HG22 HD21 ' A' ' 17' ' ' LEU . 1.8 m -130.03 157.16 42.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.5 mt -92.08 154.37 18.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -136.04 118.91 16.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.768 ' CE3' HG11 ' A' ' 76' ' ' VAL . 1.9 p90 -129.26 153.89 47.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -92.97 123.96 59.71 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.533 0.682 . . . . 0.0 110.971 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 127.98 15.39 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.87 173.84 10.49 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.712 2.275 . . . . 0.0 112.302 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -50.42 -42.25 53.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -108.69 127.58 27.14 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.632 0.73 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 131.09 20.49 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.758 2.305 . . . . 0.0 112.358 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.739 HG21 ' CE1' ' A' ' 38' ' ' TYR . 8.2 m -78.88 -178.07 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -91.17 -60.07 1.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.2 p -140.5 143.14 35.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.739 ' CE1' HG21 ' A' ' 35' ' ' VAL . 79.6 m-85 -99.16 127.28 45.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -95.49 105.14 17.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.679 HD13 ' HB3' ' A' ' 61' ' ' TYR . 17.2 mt -106.82 122.41 60.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.05 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.455 ' CG ' ' O ' ' A' ' 41' ' ' GLN . 3.7 pt20 -112.63 120.64 42.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.986 HG21 HD22 ' A' ' 63' ' ' LEU . 60.3 t -113.54 116.52 52.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.036 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.4 p -142.46 171.36 14.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.186 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.547 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -172.06 159.44 4.41 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.599 0.714 . . . . 0.0 111.11 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.547 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.6 Cg_endo -69.79 102.95 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.63 -25.64 23.74 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.408 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.487 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -91.64 151.87 42.81 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.607 0.718 . . . . 0.0 111.062 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 146.76 60.68 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.701 2.268 . . . . 0.0 112.335 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 146.72 61.16 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.775 2.317 . . . . 0.0 112.31 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.9 tp -135.18 128.6 32.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -123.11 128.59 50.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.52 168.88 18.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -150.14 153.63 36.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.487 HG23 ' HB2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -149.75 151.19 32.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.598 0.713 . . . . 0.0 111.194 -179.911 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 148.09 64.61 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.638 2.225 . . . . 0.0 112.365 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.541 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -49.78 -33.01 18.79 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 91.0 p -52.29 -16.96 0.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.839 0.352 . . . . 0.0 110.841 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -92.79 154.66 18.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.064 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.3 m -125.16 9.78 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.048 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -171.06 155.42 4.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.679 ' HB3' HD13 ' A' ' 40' ' ' ILE . 29.0 t80 -139.86 114.37 7.83 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.692 0.758 . . . . 0.0 110.881 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.447 ' HB2' ' CZ ' ' A' ' 23' ' ' PHE . 53.3 Cg_endo -69.77 150.3 67.99 Favored 'Trans proline' 0 N--CA 1.465 -0.192 0 C-N-CA 122.714 2.276 . . . . 0.0 112.367 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.986 HD22 HG21 ' A' ' 42' ' ' VAL . 9.8 mt -131.52 133.28 44.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.535 ' C ' HD12 ' A' ' 66' ' ' LEU . 8.2 p80 -129.17 175.54 8.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 t70 72.47 30.44 1.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.576 HD23 ' CG ' ' A' ' 72' ' ' TYR . 5.9 mp -100.8 141.35 33.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.0 t -75.4 120.41 25.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.597 HD13 ' O ' ' A' ' 94' ' ' THR . 0.5 OUTLIER -40.99 -74.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -73.16 68.35 0.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.5 m -166.14 129.17 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -83.42 117.19 22.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.576 ' CG ' HD23 ' A' ' 66' ' ' LEU . 61.7 m-85 -105.81 122.59 46.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.4 m -94.8 122.2 37.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.068 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -105.29 148.37 27.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.409 ' CB ' ' HG2' ' A' ' 41' ' ' GLN . 2.7 m -132.79 103.19 5.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.768 HG11 ' CE3' ' A' ' 28' ' ' TRP . 10.6 t -93.64 137.09 23.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.6 mtt180 -138.48 169.37 17.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.815 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.492 ' O ' HG23 ' A' ' 85' ' ' THR . . . -122.05 117.4 3.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.414 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -85.33 103.77 14.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.361 . . . . 0.0 110.828 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.711 ' HG3' HG12 ' A' ' 35' ' ' VAL . 22.7 mtp180 -122.07 97.27 5.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 59.97 -152.07 36.85 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.465 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 3.77 2.58 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.728 2.285 . . . . 0.0 112.304 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -118.32 175.94 5.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.3 mt -128.91 162.47 27.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.521 HG22 ' HB2' ' A' ' 9' ' ' ASP . 31.4 p -103.37 173.88 6.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 91.9 p -67.46 121.06 77.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.56 0.695 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 150.89 69.23 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.713 2.276 . . . . 0.0 112.399 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.27 115.78 14.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.08 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 27.2 t -115.25 156.53 25.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.507 ' CG2' HD23 ' A' ' 14' ' ' LEU . 21.5 tt -152.01 153.44 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.8 m -107.85 112.34 24.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -131.23 129.45 41.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.442 HG22 ' H ' ' A' ' 95' ' ' GLY . 7.5 m -85.06 143.91 28.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.107 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.597 ' O ' HD13 ' A' ' 68' ' ' LEU . 8.4 p -98.73 23.72 8.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.442 ' H ' HG22 ' A' ' 93' ' ' THR . . . -147.67 49.86 0.6 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.415 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 98' ' ' ALA . 1.3 pt? -105.42 20.87 18.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.721 0.296 . . . . 0.0 110.879 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -42.64 91.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.788 ' HB1' ' HD2' ' A' ' 99' ' ' PRO . . . -172.77 167.71 2.91 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.61 0.719 . . . . 0.0 111.071 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.788 ' HD2' ' HB1' ' A' ' 98' ' ' ALA . 54.1 Cg_endo -69.72 178.74 4.24 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.656 2.237 . . . . 0.0 112.397 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -44.88 146.63 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.825 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 41.92 28.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.461 ' HG ' ' HB3' ' A' ' 98' ' ' ALA . 5.8 mp 39.18 45.8 1.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 104' ' ' ALA . 18.8 mt-10 -109.54 105.27 14.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.815 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . -35.64 -75.34 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.038 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.73 154.23 1.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 37.2 43.59 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.426 HG13 ' N ' ' A' ' 108' ' ' THR . 7.3 p -57.85 -41.78 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.426 ' N ' HG13 ' A' ' 107' ' ' VAL . 69.9 p -126.24 81.86 66.5 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.544 0.688 . . . . 0.0 111.17 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 143.03 49.4 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.679 2.253 . . . . 0.0 112.376 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 111' ' ' GLY . 92.3 p -100.54 45.21 0.98 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 110' ' ' SER . . . 36.9 84.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 175.85 7.59 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.739 2.293 . . . . 0.0 112.339 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 71.0 p -147.53 172.11 14.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.2 t -111.92 133.52 54.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.436 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.1 t -74.31 105.24 5.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.896 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.6 m -63.1 159.51 17.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.94 51.29 0.6 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.443 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.4 p -53.82 120.55 6.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.914 0.388 . . . . 0.0 110.826 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m 62.76 41.26 9.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.886 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.74 147.37 12.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.448 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -166.22 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.645 2.23 . . . . 0.0 112.331 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.438 ' OD2' ' NH1' ' A' ' 80' ' ' ARG . 31.5 t70 -132.08 20.86 4.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.807 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -131.26 -165.36 11.43 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.513 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 128.57 16.23 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.754 2.303 . . . . 0.0 112.335 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.8 p -135.33 171.61 14.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 62.9 33.19 15.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.622 HD23 ' HB ' ' A' ' 90' ' ' ILE . 7.5 tp -58.79 115.53 3.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.5 ttt85 -127.73 159.91 33.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -127.27 105.89 8.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.0 tp -78.79 167.81 20.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -70.69 88.7 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.976 HD11 ' HA ' ' A' ' 24' ' ' ALA . 0.5 OUTLIER -104.27 174.41 5.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.816 HG21 ' CD2' ' A' ' 23' ' ' PHE . 12.0 t -33.88 146.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.68 30.01 1.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -126.08 -45.48 0.23 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.816 ' CD2' HG21 ' A' ' 20' ' ' THR . 4.9 p90 -133.0 120.98 22.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.902 0.382 . . . . 0.0 110.871 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.976 ' HA ' HD11 ' A' ' 19' ' ' LEU . . . -93.69 157.02 16.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.184 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.519 HG12 ' HA ' ' A' ' 62' ' ' PRO . 1.3 m -135.33 164.11 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.447 HD22 HD21 ' A' ' 14' ' ' LEU . 41.1 mt -103.38 129.08 50.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.524 ' O ' HD12 ' A' ' 14' ' ' LEU . 2.9 t-80 -113.77 118.73 35.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.613 ' CZ2' ' CD2' ' A' ' 38' ' ' TYR . 1.6 p90 -129.46 154.22 47.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.5 mttm -95.44 126.77 44.53 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.637 0.732 . . . . 0.0 110.838 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.74 124.23 10.89 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.693 2.262 . . . . 0.0 112.304 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.457 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.6 Cg_endo -69.81 167.15 25.33 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.64 2.227 . . . . 0.0 112.304 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 31' ' ' PRO . 37.2 tp60 -34.09 -45.61 0.21 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.54 122.55 30.74 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.644 0.735 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 115.29 4.02 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.671 2.247 . . . . 0.0 112.289 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.846 HG12 ' HG2' ' A' ' 80' ' ' ARG . 18.8 m -56.49 178.05 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.73 -56.83 3.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 p -141.23 151.99 44.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.083 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.613 ' CD2' ' CZ2' ' A' ' 28' ' ' TRP . 66.6 m-85 -107.38 131.5 54.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -96.95 108.85 21.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mp -105.88 132.89 51.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.184 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -129.91 117.41 20.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.796 HG21 HD22 ' A' ' 63' ' ' LEU . 24.9 t -110.02 132.32 58.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 46.0 p -145.36 171.91 13.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.837 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -169.35 156.3 6.5 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.564 0.697 . . . . 0.0 111.086 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.427 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 54.1 Cg_endo -69.73 84.4 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.713 2.275 . . . . 0.0 112.342 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 119.12 -26.33 7.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.525 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.837 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -83.12 152.51 65.28 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.538 0.685 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 148.23 64.16 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.666 2.244 . . . . 0.0 112.266 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 146.04 58.84 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 51' ' ' GLN . 3.6 tp -132.81 131.18 40.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.519 ' N ' HD12 ' A' ' 50' ' ' LEU . 39.9 tt0 -125.86 142.36 51.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.448 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -161.35 167.68 25.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -144.32 154.48 43.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.46 HG23 ' HB2' ' A' ' 38' ' ' TYR . 0.6 OUTLIER -147.48 146.76 25.86 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.548 0.69 . . . . 0.0 111.196 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 147.41 62.08 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.64 2.226 . . . . 0.0 112.315 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 58' ' ' ALA . . . -47.19 -42.26 16.79 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.446 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.4 m -42.54 -24.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 0.0 110.779 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 56' ' ' GLY . . . -90.32 148.22 23.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.4 m -125.09 17.91 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.151 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -169.49 148.14 3.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.448 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 31.9 t80 -134.64 103.18 11.2 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.712 0.768 . . . . 0.0 110.893 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.519 ' HA ' HG12 ' A' ' 25' ' ' VAL . 53.1 Cg_endo -69.79 117.43 5.08 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.339 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.796 HD22 HG21 ' A' ' 42' ' ' VAL . 5.9 mt -93.63 127.67 39.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -118.16 170.96 8.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.846 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.4 t70 66.36 48.52 1.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.8 mt -115.97 146.27 42.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 88.8 t -77.71 119.69 26.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.1 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.713 ' N ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -63.22 161.03 14.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.968 179.901 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 54.96 40.63 32.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 74.7 m -140.94 143.52 34.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 62.0 t-20 -86.25 108.45 18.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.95 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.625 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 33.4 m-85 -107.83 132.89 52.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.041 0.448 . . . . 0.0 110.898 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 33.0 m -106.67 120.59 42.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.415 ' HB3' HD21 ' A' ' 26' ' ' LEU . . . -112.0 150.66 30.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.126 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.7 m -134.91 119.71 18.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.18 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.557 HG11 ' CE3' ' A' ' 28' ' ' TRP . 39.8 t -109.69 135.51 48.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.9 mtt180 -130.4 159.96 35.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -108.24 126.19 8.15 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.413 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -92.82 99.91 12.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.846 ' HG2' HG12 ' A' ' 35' ' ' VAL . 43.7 mmm-85 -116.63 95.0 4.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.32 -151.35 50.29 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.524 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 3.62 2.65 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.7 2.267 . . . . 0.0 112.302 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -122.39 176.07 6.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.1 mt -128.07 164.03 23.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 42.9 p -102.08 178.04 4.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.5 p -67.01 130.33 93.9 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.642 0.734 . . . . 0.0 110.939 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 146.44 60.46 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.634 2.223 . . . . 0.0 112.368 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.25 115.53 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.7 t -117.94 158.83 24.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.78 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.622 ' HB ' HD23 ' A' ' 14' ' ' LEU . 14.6 tt -145.45 157.11 13.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.139 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.462 ' N ' HG12 ' A' ' 90' ' ' ILE . 9.2 m -112.08 110.4 20.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.108 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.638 ' HE2' ' HB3' ' A' ' 24' ' ' ALA . 4.0 p90 -126.48 143.65 51.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.4 m -101.5 123.51 45.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.187 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 69.9 p -84.39 131.38 34.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.179 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.46 -48.11 3.33 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 14.4 tp -83.52 41.55 0.79 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.753 0.311 . . . . 0.0 110.905 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -149.14 119.12 7.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.824 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -154.57 142.56 14.17 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.554 0.693 . . . . 0.0 111.079 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -9.9 27.24 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.668 2.245 . . . . 0.0 112.312 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -123.0 177.01 5.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -62.46 130.27 44.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.3 mt -63.53 -54.43 36.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.83 96.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -97.09 110.92 23.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.124 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -74.07 141.93 45.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -152.4 105.74 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 29.4 m -113.72 137.87 45.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.193 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 38.1 p -105.69 142.52 24.95 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.605 0.717 . . . . 0.0 111.137 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -175.06 1.04 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.661 2.241 . . . . 0.0 112.33 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.6 t -158.39 136.82 10.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -46.52 148.87 2.33 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.418 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -179.87 3.22 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.368 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.4 t -105.72 179.49 4.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 115' ' ' GLY . 91.5 p -100.05 174.85 5.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.83 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 114' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.262 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.467 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -132.94 140.15 47.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.902 0.382 . . . . 0.0 110.874 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.9 p -102.73 171.95 7.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.15 55.17 5.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.468 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 t -107.99 43.16 1.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.899 0.381 . . . . 0.0 110.842 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -99.07 -53.47 3.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.21 161.13 0.2 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.466 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -169.31 0.32 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.66 2.24 . . . . 0.0 112.36 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -119.32 8.66 11.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -109.77 -156.65 16.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.455 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.439 ' HG3' HG12 ' A' ' 76' ' ' VAL . 54.2 Cg_endo -69.74 127.25 14.34 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.619 2.213 . . . . 0.0 112.387 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -133.82 162.1 32.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 67.81 35.06 4.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.433 ' CD1' ' HB3' ' A' ' 28' ' ' TRP . 6.3 tp -59.16 123.37 16.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.2 ttm-85 -131.21 159.53 37.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -101.8 105.24 16.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.754 ' O ' HD13 ' A' ' 19' ' ' LEU . 11.3 tp -78.29 168.49 19.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -85.66 85.43 7.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.754 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -101.96 172.46 6.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.962 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.49 HG22 ' H ' ' A' ' 22' ' ' GLY . 9.4 m -39.13 121.65 1.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -42.27 -23.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.49 ' H ' HG22 ' A' ' 20' ' ' THR . . . -100.01 -50.69 1.33 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.448 ' CE1' ' HB2' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -82.36 108.55 15.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.915 0.388 . . . . 0.0 110.843 -179.82 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.24 137.7 36.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.09 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -133.87 163.65 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.587 HD21 ' HB3' ' A' ' 74' ' ' ALA . 13.0 mt -105.42 147.44 28.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -127.71 118.78 24.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.76 ' CE3' HG11 ' A' ' 76' ' ' VAL . 1.7 p90 -129.28 152.83 48.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -94.37 123.03 59.86 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.57 0.7 . . . . 0.0 110.903 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 121.44 8.11 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.635 2.223 . . . . 0.0 112.311 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.0 Cg_endo -69.8 162.27 42.73 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 31' ' ' PRO . 35.2 tt0 -34.61 -54.86 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -96.24 120.58 62.33 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.667 0.746 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 114.09 3.59 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.676 2.251 . . . . 0.0 112.311 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.711 HG21 ' CE1' ' A' ' 38' ' ' TYR . 16.2 m -57.45 179.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -90.78 -55.3 3.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.887 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.87 154.81 46.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.104 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.711 ' CE1' HG21 ' A' ' 35' ' ' VAL . 65.5 m-85 -111.5 126.96 55.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -95.12 103.56 15.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mp -102.75 136.79 33.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.086 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -137.8 120.71 16.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.0 t -106.7 132.88 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.141 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 65.5 p -147.13 165.4 30.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.593 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -168.71 156.99 7.58 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.562 0.696 . . . . 0.0 111.15 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 54.3 Cg_endo -69.7 101.45 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.697 2.265 . . . . 0.0 112.358 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.6 19.32 35.23 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.418 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.593 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -127.22 153.58 76.89 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.568 0.699 . . . . 0.0 111.116 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.87 142.75 48.27 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.599 2.199 . . . . 0.0 112.289 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 146.34 59.56 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 51' ' ' GLN . 3.7 tp -135.14 129.29 33.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.522 ' N ' HD12 ' A' ' 50' ' ' LEU . 6.6 tm0? -126.69 148.95 49.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.94 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.715 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -168.42 157.61 9.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -132.48 154.25 50.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.566 HG23 ' HB2' ' A' ' 38' ' ' TYR . 0.8 OUTLIER -147.43 146.3 24.51 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.675 0.75 . . . . 0.0 111.123 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 143.91 52.33 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.671 2.247 . . . . 0.0 112.301 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.507 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -44.09 -44.35 7.45 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.452 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.3 m -37.88 -33.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.907 0.384 . . . . 0.0 110.86 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.67 146.43 29.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.0 m -119.72 16.99 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -170.18 147.62 3.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.715 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 38.3 t80 -133.68 99.94 13.83 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.685 0.755 . . . . 0.0 110.909 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.448 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 54.2 Cg_endo -69.7 127.52 14.76 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.703 2.268 . . . . 0.0 112.363 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.515 ' HB2' HD11 ' A' ' 66' ' ' LEU . 1.6 mt -107.33 136.07 47.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.966 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -117.54 179.47 4.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.5 t0 58.43 49.5 10.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.515 HD11 ' HB2' ' A' ' 63' ' ' LEU . 32.1 mt -113.27 120.52 41.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.017 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.2 t -56.41 135.44 19.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.154 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.772 HD22 ' H ' ' A' ' 68' ' ' LEU . 0.4 OUTLIER -79.69 163.18 24.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 54.21 40.7 31.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.826 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.2 m -146.3 138.73 25.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -77.54 121.1 23.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.465 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 10.7 m-85 -118.3 126.17 51.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.4 m -100.46 119.03 37.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.186 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.587 ' HB3' HD21 ' A' ' 26' ' ' LEU . . . -106.18 139.76 40.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.045 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 33.2 m -125.9 115.79 20.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.76 HG11 ' CE3' ' A' ' 28' ' ' TRP . 46.2 t -108.78 122.27 63.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.417 ' NE ' ' HB3' ' A' ' 87' ' ' PRO . 14.3 mtt85 -118.91 158.05 26.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.469 ' O ' HG23 ' A' ' 85' ' ' THR . . . -115.58 127.61 7.67 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.573 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.477 ' CD2' ' N ' ' A' ' 79' ' ' LEU . 0.6 OUTLIER -91.38 107.75 19.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.823 0.344 . . . . 0.0 110.874 -179.834 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.7 ' HG2' HG12 ' A' ' 35' ' ' VAL . 30.5 mmm-85 -121.98 96.12 4.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 58.15 -150.86 32.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.512 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 3.68 2.63 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.685 2.257 . . . . 0.0 112.397 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -120.07 169.2 10.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.414 HD21 HD13 ' A' ' 79' ' ' LEU . 12.8 mt -128.45 155.49 44.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 78' ' ' GLY . 1.4 p -97.99 174.01 6.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.9 m -66.87 132.68 93.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 0.0 110.89 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.417 ' HB3' ' NE ' ' A' ' 77' ' ' ARG . 53.7 Cg_endo -69.74 136.97 34.42 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.732 2.288 . . . . 0.0 112.359 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -102.84 114.53 28.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.081 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.4 p -116.57 153.31 32.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.792 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.456 HG12 ' N ' ' A' ' 91' ' ' THR . 15.8 tt -162.13 160.67 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.111 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.456 ' N ' HG12 ' A' ' 90' ' ' ILE . 6.5 m -119.26 113.44 20.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -132.07 135.61 46.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.1 m -83.68 133.54 34.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.092 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.93 -55.55 5.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -107.31 53.85 0.59 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.445 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.851 ' O ' HD22 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -58.87 -12.76 4.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.79 0.328 . . . . 0.0 110.909 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.822 ' N ' HD13 ' A' ' 96' ' ' LEU . 4.9 tp10 -49.38 127.96 16.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -169.26 148.73 3.64 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.535 0.683 . . . . 0.0 111.162 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 1.49 4.45 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.67 2.247 . . . . 0.0 112.321 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.425 ' HB3' ' NH1' ' A' ' 100' ' ' ARG . 0.3 OUTLIER -120.62 167.59 12.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.942 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.12 127.07 32.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.87 -63.97 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -111.97 -40.89 4.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.03 170.32 1.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -162.71 174.14 12.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -110.19 116.62 31.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 57.9 t -145.83 131.16 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.09 142.77 29.75 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.626 0.727 . . . . 0.0 111.142 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -179.17 2.75 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.639 2.226 . . . . 0.0 112.394 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.3 m -150.52 131.87 14.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -103.52 145.44 16.19 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.551 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 -172.94 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.728 2.285 . . . . 0.0 112.333 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 59.9 p -151.09 176.07 11.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 57.7 p -68.48 173.7 4.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.792 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.502 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.367 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -154.42 146.4 23.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.94 0.4 . . . . 0.0 110.786 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.1 m -92.99 96.55 10.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.87 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.22 -72.89 0.11 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t 65.46 50.08 1.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.912 0.387 . . . . 0.0 110.836 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -61.66 -51.39 68.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.829 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.48 156.28 26.87 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.527 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.565 ' HD2' HG21 ' A' ' 12' ' ' THR . 53.5 Cg_endo -69.81 -166.16 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.668 2.245 . . . . 0.0 112.349 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 80' ' ' ARG . 28.2 m-20 -102.02 -6.97 22.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.61 -162.79 26.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.452 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.636 ' HG3' HG12 ' A' ' 76' ' ' VAL . 53.6 Cg_endo -69.74 132.64 23.8 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.706 2.271 . . . . 0.0 112.35 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.565 HG21 ' HD2' ' A' ' 8' ' ' PRO . 23.6 p -131.78 177.82 7.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.108 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 52.8 33.14 13.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.483 HD23 ' HB ' ' A' ' 90' ' ' ILE . 5.0 tp -60.86 121.75 13.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 19.5 ttm105 -133.43 166.57 22.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.415 ' N ' ' HG2' ' A' ' 15' ' ' ARG . . . -125.16 114.46 19.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.806 ' O ' HD13 ' A' ' 19' ' ' LEU . 12.6 mt -87.23 170.38 11.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -84.0 86.09 7.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.806 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -95.61 174.08 7.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.777 HG21 ' CE2' ' A' ' 23' ' ' PHE . 8.0 t -33.49 144.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -82.01 39.94 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -138.68 -40.82 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.474 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.777 ' CE2' HG21 ' A' ' 20' ' ' THR . 9.0 p90 -138.78 125.83 21.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.921 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.598 ' HB3' ' HE2' ' A' ' 92' ' ' PHE . . . -96.75 145.7 25.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.027 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.409 HG12 ' HA ' ' A' ' 62' ' ' PRO . 1.8 m -121.03 156.84 24.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.116 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.0 mt -95.06 143.99 26.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -128.23 118.86 24.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.57 ' CE3' HG11 ' A' ' 76' ' ' VAL . 1.8 p90 -129.22 153.36 47.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.951 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -94.19 127.61 44.05 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.568 0.699 . . . . 0.0 110.959 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.429 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 53.4 Cg_endo -69.85 115.54 4.15 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.23 . . . . 0.0 112.292 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.9 Cg_endo -69.79 149.32 66.51 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.624 2.216 . . . . 0.0 112.343 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 31' ' ' PRO . 19.0 tt0 -34.24 -46.57 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.92 109.93 28.59 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.671 0.748 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.64 122.68 9.39 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.725 2.283 . . . . 0.0 112.344 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.753 HG21 ' CE1' ' A' ' 38' ' ' TYR . 30.3 m -80.46 -176.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -97.7 -56.84 2.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.0 p -141.87 144.93 34.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.753 ' CE1' HG21 ' A' ' 35' ' ' VAL . 70.2 m-85 -101.37 129.82 47.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.96 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -95.58 115.03 26.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.586 HG12 HG22 ' A' ' 76' ' ' VAL . 19.8 mt -116.02 123.17 70.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -124.36 110.4 14.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.946 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.607 HG21 HD13 ' A' ' 63' ' ' LEU . 30.3 t -92.77 126.47 45.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.177 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.3 p -141.1 166.38 24.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.197 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.611 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -164.51 151.78 10.1 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.543 0.687 . . . . 0.0 111.094 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.61 81.26 0.79 Allowed 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.705 2.27 . . . . 0.0 112.402 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 123.52 7.34 6.92 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.496 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.611 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -127.2 152.06 75.41 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.529 0.681 . . . . 0.0 111.109 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 149.28 67.02 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.704 2.269 . . . . 0.0 112.304 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 150.47 68.25 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.731 2.287 . . . . 0.0 112.386 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.7 tp -132.97 129.0 37.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -95.31 151.75 18.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.483 ' HB1' ' CE1' ' A' ' 61' ' ' TYR . . . -167.49 133.97 2.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.172 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -139.54 151.56 46.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.422 ' OG1' ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -153.7 148.38 19.55 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.56 0.695 . . . . 0.0 111.15 -179.892 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 147.65 63.47 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.728 2.285 . . . . 0.0 112.295 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.547 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -43.32 -43.7 6.02 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.524 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.5 t -39.53 -34.68 0.24 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.847 0.356 . . . . 0.0 110.822 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.422 ' HB3' ' OG1' ' A' ' 54' ' ' THR . . . -81.98 153.22 26.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.058 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.1 m -125.14 12.98 4.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -170.7 154.99 4.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.483 ' CE1' ' HB1' ' A' ' 52' ' ' ALA . 35.6 t80 -138.45 104.94 7.73 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.611 0.72 . . . . 0.0 110.992 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 61' ' ' TYR . 53.7 Cg_endo -69.68 115.69 4.2 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.646 2.231 . . . . 0.0 112.428 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.607 HD13 HG21 ' A' ' 42' ' ' VAL . 8.4 mt -96.7 130.36 43.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.936 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -115.61 177.99 4.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 59.08 46.91 12.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 97.6 mt -110.71 128.71 55.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.1 t -59.04 132.18 23.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.068 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.484 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -71.89 175.84 5.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 68' ' ' LEU . 56.3 m80 36.49 51.84 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.3 m -153.23 125.99 8.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.25 104.73 6.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.497 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 13.3 m-85 -97.59 125.84 42.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.3 m -94.48 119.77 33.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.168 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -109.76 148.31 31.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.07 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.9 m -131.65 111.8 12.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.217 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.636 HG12 ' HG3' ' A' ' 11' ' ' PRO . 42.2 t -101.98 121.91 53.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -114.29 178.61 4.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.619 ' O ' HD23 ' A' ' 84' ' ' LEU . . . -128.73 123.65 4.36 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.516 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -92.72 98.86 11.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.666 ' HD3' HG12 ' A' ' 35' ' ' VAL . 28.1 mtm180 -121.23 96.12 4.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 63.45 -152.23 47.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 3.5 2.76 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.748 2.299 . . . . 0.0 112.305 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -122.9 174.51 7.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 78' ' ' GLY . 4.7 mt -128.66 156.55 43.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.2 p -92.26 177.27 6.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.176 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 61.4 m -69.02 129.33 92.27 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.627 0.727 . . . . 0.0 110.836 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 147.0 62.29 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.639 2.226 . . . . 0.0 112.385 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.94 115.53 13.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.1 t -116.62 167.94 10.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.483 ' HB ' HD23 ' A' ' 14' ' ' LEU . 15.6 tt -159.01 158.36 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.193 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.472 ' N ' HG12 ' A' ' 90' ' ' ILE . 2.7 m -111.89 110.89 21.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.598 ' HE2' ' HB3' ' A' ' 24' ' ' ALA . 31.1 p90 -130.19 138.67 50.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 43.6 m -89.75 132.54 35.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.217 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 p -68.56 -48.25 64.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.124 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -110.1 88.84 0.53 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.626 ' HG ' HD12 ' A' ' 102' ' ' LEU . 5.5 tp -91.73 42.34 1.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.746 0.308 . . . . 0.0 110.944 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -134.71 103.07 5.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.671 ' HB1' ' HD2' ' A' ' 99' ' ' PRO . . . -169.02 162.9 7.76 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.606 0.717 . . . . 0.0 111.099 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.671 ' HD2' ' HB1' ' A' ' 98' ' ' ALA . 54.1 Cg_endo -69.69 2.4 3.53 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.726 2.284 . . . . 0.0 112.331 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -79.09 47.61 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.8 t70 53.96 50.3 17.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.626 HD12 ' HG ' ' A' ' 96' ' ' LEU . 2.8 mm? -89.42 90.77 8.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -72.97 173.79 8.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -172.05 120.47 0.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.059 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.73 136.17 2.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -79.24 166.03 22.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 28.5 m -106.95 159.33 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 12.4 t -71.54 141.09 84.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 111.129 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -177.63 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.725 2.284 . . . . 0.0 112.323 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 66.1 p -61.53 165.52 4.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -112.1 -157.42 13.7 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.493 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 151.17 68.83 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.653 2.235 . . . . 0.0 112.353 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 26.3 p -97.65 142.83 28.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 55.3 p -174.87 163.13 3.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.225 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 N-CA-C 112.562 -0.215 . . . . 0.0 112.562 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -87.01 145.39 26.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.863 0.363 . . . . 0.0 110.878 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.6 p -104.76 135.28 46.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.66 54.49 0.78 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.519 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -95.52 -55.1 3.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.844 0.354 . . . . 0.0 110.841 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.3 m -80.02 -67.26 0.78 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.2 83.65 0.15 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -167.36 0.22 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.302 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.42 ' HB3' ' NH1' ' A' ' 80' ' ' ARG . 3.7 m-20 -116.65 15.48 15.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -119.5 -174.27 15.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.472 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 137.13 34.69 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.698 2.265 . . . . 0.0 112.371 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 39.5 p -140.67 176.27 8.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.121 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 49.96 39.65 19.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.487 ' CD1' ' HB3' ' A' ' 28' ' ' TRP . 8.1 tp -58.91 127.32 31.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -123.39 178.07 5.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -130.14 110.18 11.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.529 ' CD2' ' NE2' ' A' ' 27' ' ' HIS . 4.1 pp -76.93 170.84 15.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.951 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -71.59 115.04 10.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.561 ' H ' HD22 ' A' ' 19' ' ' LEU . 2.1 mm? -65.12 160.03 22.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.8 t -164.42 145.07 8.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 58.61 36.59 25.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.74 48.81 42.96 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.481 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.507 ' CZ ' ' HB2' ' A' ' 62' ' ' PRO . 2.6 t80 -129.74 110.11 11.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.871 0.367 . . . . 0.0 110.917 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.09 123.06 43.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.157 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.4 ' CG1' ' HB3' ' A' ' 62' ' ' PRO . 1.9 m -131.1 165.03 32.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.45 HD11 HD11 ' A' ' 63' ' ' LEU . 13.7 mt -109.94 146.93 34.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.529 ' NE2' ' CD2' ' A' ' 17' ' ' LEU . 3.6 m170 -129.03 120.76 26.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.751 ' CE3' HG11 ' A' ' 76' ' ' VAL . 2.0 p90 -129.31 153.28 47.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -91.71 125.98 55.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 125.87 12.61 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.659 2.239 . . . . 0.0 112.398 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.9 Cg_endo -69.81 163.68 37.4 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.629 2.219 . . . . 0.0 112.365 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 31' ' ' PRO . 43.9 tt0 -34.5 -50.71 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.811 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -110.62 128.15 25.8 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.69 0.757 . . . . 0.0 110.837 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 151.34 69.02 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.712 2.275 . . . . 0.0 112.314 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.756 HG12 ' HG2' ' A' ' 80' ' ' ARG . 19.1 m -96.62 -177.78 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.96 -51.5 5.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.4 p -142.07 136.9 30.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.152 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.856 ' HB2' HG23 ' A' ' 54' ' ' THR . 94.1 m-85 -96.71 127.23 42.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -95.73 114.54 26.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.611 HG13 HG13 ' A' ' 76' ' ' VAL . 5.2 mp -117.2 136.71 53.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.232 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -132.36 127.86 36.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.865 HG21 HD13 ' A' ' 63' ' ' LEU . 90.4 t -117.78 139.07 46.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.096 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.8 p -144.55 166.48 25.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.501 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -166.84 153.68 8.3 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.634 0.731 . . . . 0.0 111.025 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 110.36 2.55 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.664 2.242 . . . . 0.0 112.362 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.52 9.67 62.76 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.516 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.501 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -125.69 151.91 71.4 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.534 0.683 . . . . 0.0 111.109 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.71 148.12 64.72 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.377 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 136.75 33.61 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.65 2.233 . . . . 0.0 112.349 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 tp -116.5 128.56 55.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -128.98 129.14 45.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.666 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -145.09 172.64 12.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -142.45 157.22 45.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.856 HG23 ' HB2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -144.77 150.44 46.6 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.61 0.719 . . . . 0.0 111.134 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 152.97 69.63 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.63 2.22 . . . . 0.0 112.38 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.7 -16.69 46.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.2 p -81.41 15.28 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 110.86 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.66 143.07 49.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.117 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.5 m -118.89 18.61 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -169.8 147.62 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.666 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 15.9 t80 -133.83 96.5 16.32 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.7 0.762 . . . . 0.0 110.92 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.507 ' HB2' ' CZ ' ' A' ' 23' ' ' PHE . 54.1 Cg_endo -69.71 112.3 3.03 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.657 2.238 . . . . 0.0 112.307 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.865 HD13 HG21 ' A' ' 42' ' ' VAL . 4.3 mt -96.31 133.22 40.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -118.11 173.02 7.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.805 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.9 t0 68.08 48.6 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.422 ' HB3' HG21 ' A' ' 94' ' ' THR . 90.8 mt -111.38 121.02 44.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.4 t -53.53 131.63 15.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.793 HD22 ' H ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -78.03 155.19 30.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.959 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 63.3 43.76 5.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.6 m -154.53 133.17 12.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -74.12 118.5 17.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.412 ' CD2' ' HB2' ' A' ' 44' ' ' ALA . 9.3 m-85 -114.11 116.89 29.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 57.7 m -91.19 119.96 31.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.413 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -108.22 138.03 45.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.9 m -123.2 111.94 17.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.214 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.751 HG11 ' CE3' ' A' ' 28' ' ' TRP . 21.4 t -99.89 142.75 14.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.149 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -139.65 179.39 6.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.956 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -134.21 129.43 5.24 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.446 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -93.03 104.72 16.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.749 0.309 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.756 ' HG2' HG12 ' A' ' 35' ' ' VAL . 22.0 mmm-85 -121.72 94.98 4.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.65 -152.82 50.03 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 3.49 2.74 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.742 2.294 . . . . 0.0 112.282 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -121.55 176.02 5.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.2 mt -122.29 165.99 15.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 70.4 p -103.66 177.06 4.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 31.2 p -69.76 127.38 92.6 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.719 0.771 . . . . 0.0 110.765 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 154.85 67.33 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.635 2.223 . . . . 0.0 112.341 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -147.32 115.59 6.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 74' ' ' ALA . 12.3 t -122.91 165.96 15.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 20.2 tt -155.34 157.49 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 7.4 m -106.19 120.95 43.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.097 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 22.2 p90 -143.47 133.3 23.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 35.0 m -83.17 142.2 31.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.422 HG21 ' HB3' ' A' ' 66' ' ' LEU . 8.9 p -84.43 169.63 14.35 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 52.2 38.43 48.73 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.406 HD12 HD21 ' A' ' 102' ' ' LEU . 10.0 tp -98.6 40.76 1.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.78 0.324 . . . . 0.0 110.932 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.455 ' C ' ' HD3' ' A' ' 99' ' ' PRO . 4.9 pt-20 -53.29 -174.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.58 ' HB1' ' HG3' ' A' ' 103' ' ' GLU . . . -107.0 70.97 0.27 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.603 0.716 . . . . 0.0 111.079 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.455 ' HD3' ' C ' ' A' ' 97' ' ' GLU . 53.8 Cg_endo -69.81 -163.6 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.655 2.236 . . . . 0.0 112.292 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -82.76 -18.28 41.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -91.63 -72.92 0.56 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.406 HD21 HD12 ' A' ' 96' ' ' LEU . 5.9 mp -46.34 -52.14 13.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.58 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.8 OUTLIER -74.27 102.7 4.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.51 153.18 22.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -148.35 130.34 15.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -84.23 173.94 10.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.8 p -140.11 145.37 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.41 ' HA ' ' HD2' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -111.37 101.85 51.64 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.601 0.715 . . . . 0.0 111.143 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 108' ' ' THR . 54.2 Cg_endo -69.73 97.17 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.704 2.27 . . . . 0.0 112.393 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.47 ' O ' ' C ' ' A' ' 111' ' ' GLY . 7.7 m -55.0 -33.03 62.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 110' ' ' SER . . . -32.64 96.2 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.435 ' N ' ' O ' ' A' ' 110' ' ' SER . 54.2 Cg_endo -69.75 -20.89 34.31 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.692 2.261 . . . . 0.0 112.373 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 31.5 m 50.17 48.44 22.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.8 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.4 p -75.85 150.58 37.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.839 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.486 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.423 -0.271 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -47.47 142.9 3.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.875 0.369 . . . . 0.0 110.819 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 p -163.24 119.78 1.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.64 56.29 0.57 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.455 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -149.82 137.93 20.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.899 0.38 . . . . 0.0 110.888 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -122.16 77.27 1.37 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.89 83.62 1.57 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -179.26 2.79 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.651 2.234 . . . . 0.0 112.282 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -121.73 18.11 11.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -124.36 -171.53 13.43 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.534 ' HG3' HG12 ' A' ' 76' ' ' VAL . 53.4 Cg_endo -69.77 128.86 16.62 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.63 2.22 . . . . 0.0 112.269 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.2 p -132.34 173.87 10.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.191 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 55.67 40.64 30.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.557 HD23 ' CG2' ' A' ' 90' ' ' ILE . 6.2 tp -62.39 127.88 33.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -122.43 162.71 21.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -126.43 105.59 8.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.051 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.488 HD12 ' N ' ' A' ' 17' ' ' LEU . 6.9 mp -82.17 171.12 14.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -70.79 106.84 3.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.74 HD13 ' H ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -82.24 174.25 11.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.922 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.587 ' CG2' ' CD2' ' A' ' 23' ' ' PHE . 4.9 t -75.61 50.75 0.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.506 ' N ' HD23 ' A' ' 19' ' ' LEU . 1.1 pm0 33.05 41.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -164.38 -56.63 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.6 ' O ' ' CD1' ' A' ' 23' ' ' PHE . 0.6 OUTLIER -120.23 120.51 36.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 0.0 110.807 -179.844 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.475 ' HB3' ' CE1' ' A' ' 92' ' ' PHE . . . -100.16 157.15 16.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.053 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -124.77 146.14 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.507 ' CD1' HD11 ' A' ' 63' ' ' LEU . 13.1 mt -91.32 111.8 23.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.021 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -102.62 118.9 37.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.574 ' CE3' HG11 ' A' ' 76' ' ' VAL . 1.9 p90 -129.42 153.99 47.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.1 tttt -88.05 122.51 69.93 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.6 0.714 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 118.82 5.91 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.623 2.215 . . . . 0.0 112.347 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 162.54 41.7 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.637 2.225 . . . . 0.0 112.368 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -47.61 -46.59 28.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.804 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -86.01 114.8 59.04 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.629 0.728 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 117.63 5.21 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.646 2.231 . . . . 0.0 112.359 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.594 ' CG2' ' CZ ' ' A' ' 38' ' ' TYR . 9.9 m -71.68 -176.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.045 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 56' ' ' GLY . 1.0 OUTLIER -103.45 -55.49 2.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.903 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 p -139.75 134.82 32.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.834 ' HB2' HG23 ' A' ' 54' ' ' THR . 82.1 m-85 -93.59 126.84 38.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -94.89 124.14 38.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.1 mp -123.75 139.17 51.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -133.29 114.14 13.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.471 ' HB ' ' CB ' ' A' ' 50' ' ' LEU . 1.2 t -113.92 107.18 22.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.114 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.9 p -128.62 155.58 44.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.664 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -151.19 162.69 26.06 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.513 0.673 . . . . 0.0 111.131 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.664 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.7 Cg_endo -69.73 95.02 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.613 2.208 . . . . 0.0 112.391 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 114.17 -36.2 4.11 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.452 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.466 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -77.44 157.04 80.79 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.638 0.732 . . . . 0.0 111.071 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.5 Cg_endo -69.67 158.68 56.24 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.722 2.281 . . . . 0.0 112.346 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 134.43 27.88 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.676 2.251 . . . . 0.0 112.335 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.504 ' CD1' ' C ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -102.71 117.89 35.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.487 ' N ' HD13 ' A' ' 50' ' ' LEU . 10.4 tt0 -126.04 119.68 28.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -157.49 160.23 38.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.068 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -136.83 162.4 33.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.834 HG23 ' HB2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -146.97 151.44 41.59 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.578 0.704 . . . . 0.0 111.126 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.6 155.44 66.44 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.724 2.282 . . . . 0.0 112.378 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 36' ' ' ASP . . . -61.37 -17.33 52.69 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.513 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.2 t -84.44 28.94 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.938 0.399 . . . . 0.0 110.872 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.44 132.78 41.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.174 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.7 m -116.11 22.74 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -171.17 131.24 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.41 ' HA ' ' HD2' ' A' ' 62' ' ' PRO . 14.3 t80 -127.52 96.4 33.2 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.689 0.757 . . . . 0.0 110.925 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 61' ' ' TYR . 54.2 Cg_endo -69.71 113.26 3.31 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.716 2.277 . . . . 0.0 112.322 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.507 HD11 ' CD1' ' A' ' 26' ' ' LEU . 5.0 mt -93.03 119.59 32.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -106.52 167.96 9.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.1 t70 72.9 51.15 0.15 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.836 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 97.1 mt -114.37 122.53 46.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.4 t -55.95 130.01 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.168 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -72.93 163.22 28.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 51.21 53.16 13.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.2 m -156.94 142.22 17.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.095 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -84.49 111.28 19.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -105.45 130.74 53.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.5 m -103.87 119.53 39.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.181 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -111.14 147.97 33.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 61.0 m -135.81 111.25 9.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.574 HG11 ' CE3' ' A' ' 28' ' ' TRP . 48.9 t -96.18 137.39 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.1 mtt180 -136.41 166.48 23.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -121.1 125.52 6.22 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -91.68 104.8 17.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.789 0.328 . . . . 0.0 110.843 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.56 ' HG3' HG12 ' A' ' 35' ' ' VAL . 44.7 mtp180 -122.07 94.54 4.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.53 -152.9 49.67 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.44 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 3.69 2.62 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.648 2.232 . . . . 0.0 112.38 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -119.56 175.88 5.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.4 mt -124.72 163.12 22.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 60.3 p -102.97 177.55 4.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.2 p -70.21 120.94 81.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.667 0.746 . . . . 0.0 110.871 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 155.15 66.44 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.663 2.242 . . . . 0.0 112.35 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -140.36 115.62 9.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.1 t -115.82 159.59 21.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.557 ' CG2' HD23 ' A' ' 14' ' ' LEU . 19.2 tt -157.04 160.58 2.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.437 ' N ' HG12 ' A' ' 90' ' ' ILE . 23.7 m -112.93 123.06 49.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.099 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.479 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 33.8 p90 -142.37 126.16 17.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.929 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 55.4 m -83.1 142.65 31.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.2 p -91.73 125.21 36.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.174 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . 116.56 -111.71 2.4 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.746 ' O ' HD12 ' A' ' 96' ' ' LEU . 4.2 pp 33.74 41.54 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.811 0.338 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.411 ' HB3' ' CB ' ' A' ' 21' ' ' GLU . 1.4 pm0 -54.93 -17.1 3.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -126.54 83.58 64.36 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.594 0.712 . . . . 0.0 111.166 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -0.07 6.39 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.701 2.267 . . . . 0.0 112.354 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 100' ' ' ARG . 3.3 mmm180 -75.48 -63.0 1.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -174.39 116.4 0.2 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.7 mt -79.7 136.72 36.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 104' ' ' ALA . 6.6 tp10 70.86 45.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . -34.46 141.02 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.148 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.6 mttp -43.07 153.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 107' ' ' VAL . 5.1 tt0 -160.53 178.12 9.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 106' ' ' GLU . 3.6 m -36.07 141.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.138 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.5 t -171.16 141.39 1.36 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.623 0.725 . . . . 0.0 111.068 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 110' ' ' SER . 54.9 Cg_endo -69.69 -167.61 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.698 2.265 . . . . 0.0 112.396 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 109' ' ' PRO . 1.5 t -37.6 115.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -41.61 144.46 0.79 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.464 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.81 -171.38 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.737 2.291 . . . . 0.0 112.321 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 18.1 m -84.03 127.18 33.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.7 m -95.68 165.24 12.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.505 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.1 m -98.97 90.18 4.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.353 . . . . 0.0 110.835 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.3 p -108.03 -54.76 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.67 -88.3 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.436 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 t -94.62 112.75 24.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.819 0.342 . . . . 0.0 110.913 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -126.29 132.72 51.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.28 177.64 17.84 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.425 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.404 ' CG ' HG21 ' A' ' 12' ' ' THR . 53.6 Cg_endo -69.75 -167.34 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.673 2.249 . . . . 0.0 112.359 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.13 2.32 12.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.07 -166.01 17.57 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.483 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 130.61 19.71 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.743 2.295 . . . . 0.0 112.284 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.404 HG21 ' CG ' ' A' ' 8' ' ' PRO . 20.8 p -135.13 179.52 6.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.2 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 53.01 36.26 21.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.444 HD23 ' CG2' ' A' ' 90' ' ' ILE . 5.4 tp -58.11 124.84 20.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.869 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' A' ' 16' ' ' ALA . 13.4 tpp180 -117.23 150.84 38.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.446 ' N ' ' HG3' ' A' ' 15' ' ' ARG . . . -106.3 104.94 14.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.475 ' CD1' ' HB2' ' A' ' 27' ' ' HIS . 5.3 mp -74.3 171.26 13.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -70.85 111.56 6.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.708 HD12 ' HA ' ' A' ' 24' ' ' ALA . 3.5 mm? -62.93 143.84 57.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.458 ' O ' ' C ' ' A' ' 21' ' ' GLU . 35.6 p -89.73 -174.61 4.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 20' ' ' THR . 29.3 tt0 -33.36 -63.47 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -149.96 55.65 0.48 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.442 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.508 ' CZ ' ' HB2' ' A' ' 62' ' ' PRO . 3.4 t80 -139.99 107.96 5.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.336 . . . . 0.0 110.851 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.708 ' HA ' HD12 ' A' ' 19' ' ' LEU . . . -100.21 124.96 46.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.031 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.424 HG12 ' HA ' ' A' ' 62' ' ' PRO . 1.4 m -135.06 164.37 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.5 mt -113.53 162.39 16.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.475 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 6.7 t-80 -142.84 119.98 11.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.783 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.665 ' CZ2' ' CD2' ' A' ' 38' ' ' TYR . 2.1 p90 -129.08 153.94 47.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -92.15 122.19 65.35 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.574 0.702 . . . . 0.0 110.908 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.44 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 54.4 Cg_endo -69.69 113.97 3.54 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.644 2.229 . . . . 0.0 112.373 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 32' ' ' GLN . 54.0 Cg_endo -69.77 152.65 69.29 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.682 2.255 . . . . 0.0 112.398 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 31' ' ' PRO . 1.1 tm0? -34.5 -39.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.404 ' HA ' ' HD2' ' A' ' 34' ' ' PRO . 0.5 OUTLIER -99.56 100.91 11.76 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.609 0.719 . . . . 0.0 110.916 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 33' ' ' ASN . 53.5 Cg_endo -69.74 111.37 2.79 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.863 HG12 ' HG3' ' A' ' 80' ' ' ARG . 27.6 m -60.64 -174.97 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.077 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -94.04 -56.4 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.3 p -140.36 141.18 35.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.665 ' CD2' ' CZ2' ' A' ' 28' ' ' TRP . 64.4 m-85 -96.25 129.72 43.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -97.08 106.42 18.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.439 HG13 HG13 ' A' ' 76' ' ' VAL . 5.3 mp -105.15 136.09 40.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -129.37 113.62 15.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.43 HG21 HD13 ' A' ' 63' ' ' LEU . 53.1 t -99.65 123.11 52.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.7 p -140.4 170.18 16.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.489 ' HB2' ' CD1' ' A' ' 72' ' ' TYR . . . -174.67 151.32 1.49 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.584 0.707 . . . . 0.0 111.072 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 84.89 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.709 2.272 . . . . 0.0 112.356 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 121.01 24.07 2.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.531 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.64 153.18 54.46 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.538 0.685 . . . . 0.0 111.035 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 146.98 61.56 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.638 2.226 . . . . 0.0 112.364 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 144.97 55.5 Favored 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.657 2.238 . . . . 0.0 112.333 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.446 HD12 ' N ' ' A' ' 51' ' ' GLN . 4.7 tp -129.28 130.06 45.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.969 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.446 ' N ' HD12 ' A' ' 50' ' ' LEU . 4.2 tp60 -122.51 130.92 53.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.548 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -148.06 168.25 22.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -146.09 159.42 43.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 t -157.5 145.66 14.18 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.574 0.702 . . . . 0.0 111.164 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 147.63 63.18 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.754 2.303 . . . . 0.0 112.37 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -47.96 -39.28 18.27 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.432 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 51.6 m -43.95 -25.05 0.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.819 0.342 . . . . 0.0 110.853 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.33 137.37 32.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.087 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.7 m -114.53 22.28 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -170.17 144.55 2.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.548 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 10.5 t80 -131.5 96.51 21.11 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.693 0.759 . . . . 0.0 110.932 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.508 ' HB2' ' CZ ' ' A' ' 23' ' ' PHE . 54.1 Cg_endo -69.69 106.26 1.62 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.72 2.28 . . . . 0.0 112.306 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.43 HD13 HG21 ' A' ' 42' ' ' VAL . 5.1 mt -89.25 131.94 35.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -116.64 171.18 8.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.9 t70 68.97 51.77 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.702 HD12 ' HB3' ' A' ' 24' ' ' ALA . 73.2 mt -115.31 127.98 55.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.5 t -60.64 134.08 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.767 HD22 ' H ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -81.33 152.71 27.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.5 m170 66.06 41.86 3.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 54.2 m -150.94 127.24 10.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -69.99 110.19 4.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.489 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 15.4 m-85 -104.92 130.78 53.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.4 m -102.24 119.69 39.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.206 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -109.21 138.66 45.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.062 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 38.5 m -127.48 119.69 26.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.521 HG11 ' CE3' ' A' ' 28' ' ' TRP . 21.3 t -106.46 136.28 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 38.1 mtm-85 -128.34 171.09 12.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -123.96 124.06 5.39 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.436 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -89.39 102.65 15.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.787 0.327 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.863 ' HG3' HG12 ' A' ' 35' ' ' VAL . 37.1 mtp180 -121.66 96.79 5.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 61.16 -151.92 41.49 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.462 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 3.58 2.69 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.699 2.266 . . . . 0.0 112.357 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -120.73 176.36 5.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.5 mt -128.78 157.94 40.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 45.6 p -93.89 177.71 5.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.14 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.4 m -71.24 127.73 91.09 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.731 0.777 . . . . 0.0 110.84 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 140.74 43.61 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.746 2.297 . . . . 0.0 112.322 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -128.74 115.76 18.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.3 t -119.43 160.16 22.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.444 ' CG2' HD23 ' A' ' 14' ' ' LEU . 21.2 tt -152.69 153.49 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.4 m -99.07 130.09 45.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.15 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.52 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 16.9 p90 -149.39 131.94 15.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.5 m -90.07 132.57 35.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 26.4 p -88.74 150.41 22.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.168 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 61.92 87.69 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.434 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.508 HD21 ' HB2' ' A' ' 19' ' ' LEU . 1.3 pt? -128.5 36.85 4.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.796 0.332 . . . . 0.0 110.951 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -46.45 111.92 0.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -167.25 119.77 0.76 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.618 0.723 . . . . 0.0 111.094 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -9.1 25.27 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.242 . . . . 0.0 112.37 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -130.61 -61.69 0.94 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -168.77 171.05 8.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.9 tp -76.55 -41.58 45.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -77.81 110.09 12.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -99.34 164.82 11.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 53.4 mttt -93.41 115.48 28.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -133.03 68.62 1.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 27.8 m -112.98 155.9 14.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.076 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 77.5 p -111.56 83.17 4.15 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.576 0.703 . . . . 0.0 111.181 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -31.05 21.38 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.672 2.248 . . . . 0.0 112.385 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 52.4 p -156.85 146.05 20.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -125.45 80.0 0.36 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 -178.65 2.41 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.729 2.286 . . . . 0.0 112.353 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 77.6 p -142.96 162.06 36.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.0 t -117.52 168.2 10.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.83 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.488 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.1 p -157.53 120.89 4.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.903 0.382 . . . . 0.0 110.82 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.3 t -83.6 96.64 8.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.894 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.92 -175.55 15.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.3 p -96.09 96.91 9.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.384 . . . . 0.0 110.862 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -126.84 128.84 47.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.931 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.15 170.76 13.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.465 ' HG2' ' CG2' ' A' ' 12' ' ' THR . 53.3 Cg_endo -69.82 175.82 7.64 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.625 2.217 . . . . 0.0 112.32 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -96.13 13.01 28.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -114.72 -167.09 15.54 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.535 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.574 ' HG3' HG12 ' A' ' 76' ' ' VAL . 54.2 Cg_endo -69.74 121.59 8.28 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.64 2.227 . . . . 0.0 112.381 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.465 ' CG2' ' HG2' ' A' ' 8' ' ' PRO . 47.4 p -124.26 165.12 18.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 56.6 39.98 29.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.465 HD12 ' HB3' ' A' ' 28' ' ' TRP . 9.2 tp -59.89 121.91 12.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -116.06 162.56 17.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.32 106.79 16.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.058 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.847 HD13 ' CE1' ' A' ' 27' ' ' HIS . 1.5 tp -71.18 169.82 14.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -70.64 129.47 39.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.746 ' H ' HD12 ' A' ' 19' ' ' LEU . 4.6 mp -62.91 162.4 11.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.967 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.5 m -116.32 98.84 6.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 44.96 32.69 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.89 35.12 3.07 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.455 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.409 ' CE1' ' O ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -138.9 107.7 5.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.799 0.333 . . . . 0.0 110.905 -179.838 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -97.14 148.14 23.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -134.99 164.68 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.509 HD11 HD11 ' A' ' 63' ' ' LEU . 21.0 mt -107.04 132.58 52.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.847 ' CE1' HD13 ' A' ' 17' ' ' LEU . 5.5 m170 -119.59 119.75 34.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.822 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.465 ' HB3' HD12 ' A' ' 14' ' ' LEU . 1.8 p90 -127.19 153.53 45.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -95.38 125.95 47.86 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.598 0.713 . . . . 0.0 110.855 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.405 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 52.6 Cg_endo -69.88 119.4 6.34 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.703 2.269 . . . . 0.0 112.308 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 30' ' ' PRO . 53.8 Cg_endo -69.76 161.36 46.24 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.629 2.22 . . . . 0.0 112.337 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.6 tp60 -38.31 -55.65 1.32 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.407 ' HB3' ' NH1' ' A' ' 80' ' ' ARG . 3.2 t-20 -88.39 116.86 67.49 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.616 0.722 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 142.47 48.15 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.736 2.291 . . . . 0.0 112.332 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.666 HG12 ' HG3' ' A' ' 80' ' ' ARG . 26.4 m -94.3 -174.91 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.228 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -104.24 -53.15 2.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.7 p -142.42 134.41 27.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.133 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.621 ' CE1' HG21 ' A' ' 35' ' ' VAL . 85.5 m-85 -94.29 129.72 40.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -94.85 111.98 23.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.79 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mp -111.75 139.96 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -137.63 119.33 15.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.95 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.438 HG21 HD22 ' A' ' 63' ' ' LEU . 92.8 t -106.69 128.5 61.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.114 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.7 p -146.98 150.76 35.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.168 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.584 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -154.99 160.38 30.96 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.602 0.715 . . . . 0.0 111.124 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.584 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.6 Cg_endo -69.75 104.44 1.32 Allowed 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.744 2.296 . . . . 0.0 112.333 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.46 27.89 16.32 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.12 151.8 68.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.526 0.679 . . . . 0.0 111.138 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 144.82 55.34 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 139.23 39.64 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.678 2.252 . . . . 0.0 112.295 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.515 HD12 ' N ' ' A' ' 51' ' ' GLN . 5.2 tp -126.42 127.71 45.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.515 ' N ' HD12 ' A' ' 50' ' ' LEU . 20.2 tt0 -125.91 136.03 52.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.731 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -151.61 160.99 43.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -136.1 160.13 39.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.7 t -153.05 145.22 16.95 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.602 0.715 . . . . 0.0 111.123 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 149.28 66.5 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.637 2.225 . . . . 0.0 112.319 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.11 -13.17 3.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.54 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.4 t -77.06 8.89 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.824 0.345 . . . . 0.0 110.793 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -125.97 139.97 53.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.071 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.1 m -119.59 26.68 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -170.85 137.46 1.25 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.731 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 12.2 t80 -133.06 96.48 17.61 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.72 0.771 . . . . 0.0 110.934 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 61' ' ' TYR . 54.1 Cg_endo -69.77 124.43 11.07 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.679 2.253 . . . . 0.0 112.379 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.603 ' HB2' HD11 ' A' ' 66' ' ' LEU . 4.4 mt -98.57 134.85 40.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -120.64 179.07 4.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.7 t70 57.75 40.13 26.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.603 HD11 ' HB2' ' A' ' 63' ' ' LEU . 70.2 mt -105.28 117.75 34.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 63.2 t -53.16 134.8 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.731 HD22 ' H ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -76.03 160.39 29.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 56.77 48.74 15.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.819 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 89.7 m -152.14 130.06 11.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.193 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 35.2 p-10 -78.19 99.1 6.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -91.99 140.54 29.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 70.4 m -114.03 120.77 41.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -112.62 141.1 46.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.2 m -125.06 111.79 15.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.574 HG12 ' HG3' ' A' ' 11' ' ' PRO . 72.9 t -96.39 147.08 6.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 50.4 mtm-85 -142.59 170.72 15.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -125.91 118.21 3.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.4 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.415 HD13 ' CD2' ' A' ' 84' ' ' LEU . 4.5 mm? -90.15 99.73 12.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 0.0 110.849 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.666 ' HG3' HG12 ' A' ' 35' ' ' VAL . 38.0 mtp180 -117.23 94.41 4.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.35 -151.12 50.5 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 3.46 2.73 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.661 2.24 . . . . 0.0 112.395 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -121.49 171.09 9.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.415 ' CD2' HD13 ' A' ' 79' ' ' LEU . 6.6 mt -127.55 164.96 20.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 58.2 p -103.49 178.02 4.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.45 ' HB2' ' CB ' ' A' ' 8' ' ' PRO . 2.1 m -71.78 127.86 90.28 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.619 0.723 . . . . 0.0 110.832 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 140.62 43.24 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.702 2.268 . . . . 0.0 112.335 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -129.73 115.61 17.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.9 t -116.31 171.43 7.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.416 ' HB ' HD23 ' A' ' 14' ' ' LEU . 16.7 tt -162.73 156.34 2.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.7 m -110.79 113.47 26.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.168 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -126.64 141.65 51.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 35.7 m -92.58 130.13 38.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.155 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 74.6 p -86.82 172.99 9.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.151 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 67.15 -145.54 46.42 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.502 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.0 tp 62.03 44.18 8.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.761 0.315 . . . . 0.0 110.904 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -114.8 -33.47 5.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.4 ' HB1' ' HD2' ' A' ' 99' ' ' PRO . . . -41.04 154.89 0.22 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.547 0.689 . . . . 0.0 111.057 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.4 ' HD2' ' HB1' ' A' ' 98' ' ' ALA . 54.0 Cg_endo -69.74 -14.4 36.1 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.772 2.315 . . . . 0.0 112.295 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -53.28 140.77 25.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.842 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -44.02 117.16 1.14 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.793 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 76.0 mt -94.25 178.01 5.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -90.32 74.49 6.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 105' ' ' LYS . . . -97.7 48.61 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.069 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 104' ' ' ALA . 66.7 mttm 37.21 46.41 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -82.04 46.31 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 85.0 t -62.48 -56.57 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.138 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -36.47 114.48 0.61 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.548 0.69 . . . . 0.0 111.187 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -176.08 1.37 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.692 2.261 . . . . 0.0 112.33 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.3 m -139.97 125.86 19.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 110.7 144.73 10.09 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.518 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 174.65 9.22 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.652 2.235 . . . . 0.0 112.336 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 11.7 t -174.94 160.48 2.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.796 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.6 t -139.02 127.39 22.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.8 m -77.15 167.11 22.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.907 0.384 . . . . 0.0 110.775 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.8 m -65.71 -49.35 68.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.85 -124.62 1.6 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.486 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.6 p -122.65 176.37 5.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.889 0.376 . . . . 0.0 110.833 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -90.34 41.28 1.04 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.95 87.13 1.68 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.412 ' CG ' HG21 ' A' ' 12' ' ' THR . 53.1 Cg_endo -69.84 -164.55 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.643 2.229 . . . . 0.0 112.335 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 80' ' ' ARG . 12.3 m-20 -120.61 -17.41 8.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.46 ' N ' ' HB ' ' A' ' 85' ' ' THR . . . -97.45 -170.14 33.09 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 138.05 36.72 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.326 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.412 HG21 ' CG ' ' A' ' 8' ' ' PRO . 82.1 p -135.83 163.54 29.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.147 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 61.23 36.64 17.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.595 HD23 ' CG2' ' A' ' 90' ' ' ILE . 7.4 tp -60.36 109.66 1.05 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -118.47 152.68 35.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -102.67 113.01 26.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.623 ' C ' HD12 ' A' ' 17' ' ' LEU . 3.6 pp -72.09 170.93 12.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.445 ' O ' ' CG ' ' A' ' 18' ' ' ASN . 2.9 p30 -70.95 115.7 10.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.718 HD22 ' HA ' ' A' ' 24' ' ' ALA . 8.2 mt -67.62 113.82 5.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.505 HG23 ' H ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -59.76 -75.49 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.505 ' H ' HG23 ' A' ' 20' ' ' THR . 32.0 tt0 -108.92 83.77 1.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.936 0.398 . . . . 0.0 110.924 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . 35.68 31.79 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.494 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.487 ' CE2' ' HB2' ' A' ' 62' ' ' PRO . 1.6 t80 -108.49 108.05 18.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.803 0.335 . . . . 0.0 110.886 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.718 ' HA ' HD22 ' A' ' 19' ' ' LEU . . . -84.28 128.66 34.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.9 m -135.06 157.55 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.544 HD22 HD21 ' A' ' 14' ' ' LEU . 56.7 mt -99.59 153.1 19.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -141.09 118.63 11.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.571 ' CZ2' ' CD2' ' A' ' 38' ' ' TYR . 2.3 p90 -129.54 154.12 47.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 ttmm -95.26 127.41 42.46 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.628 0.728 . . . . 0.0 110.866 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 121.2 7.91 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.708 2.272 . . . . 0.0 112.34 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.4 Cg_endo -69.76 170.0 17.6 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.689 2.26 . . . . 0.0 112.316 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 31' ' ' PRO . 28.7 tt0 -34.59 -51.72 0.49 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -108.53 120.92 44.95 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.552 0.691 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 117.29 5.0 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.633 2.222 . . . . 0.0 112.369 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.473 HG22 ' CZ ' ' A' ' 38' ' ' TYR . 15.5 m -58.04 -178.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.452 ' OD2' HG23 ' A' ' 37' ' ' THR . 1.5 t70 -94.16 -54.13 3.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.452 HG23 ' OD2' ' A' ' 36' ' ' ASP . 17.3 p -142.29 134.55 27.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.169 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.571 ' CD2' ' CZ2' ' A' ' 28' ' ' TRP . 86.9 m-85 -92.04 126.99 37.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -95.11 107.29 19.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.517 HG13 HG22 ' A' ' 76' ' ' VAL . 5.3 mp -107.21 135.59 45.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -129.87 116.17 18.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.66 HG21 HD22 ' A' ' 63' ' ' LEU . 30.4 t -108.8 134.41 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 47.7 p -146.98 164.42 33.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.761 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -159.69 162.54 24.83 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.593 0.711 . . . . 0.0 111.072 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.662 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 54.5 Cg_endo -69.68 85.75 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.672 2.248 . . . . 0.0 112.398 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.5 -37.43 3.47 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.761 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -68.46 151.7 97.07 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.593 0.711 . . . . 0.0 111.05 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.76 148.55 65.33 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.656 2.238 . . . . 0.0 112.348 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 137.91 36.26 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.654 2.236 . . . . 0.0 112.301 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 51' ' ' GLN . 3.5 tp -119.78 130.17 54.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.976 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.413 ' N ' HD12 ' A' ' 50' ' ' LEU . 35.2 tt0 -125.3 122.16 36.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.822 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -141.02 169.66 17.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -146.64 166.06 27.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.474 ' HB ' ' CE1' ' A' ' 61' ' ' TYR . 5.0 t -159.6 143.18 10.63 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.573 0.701 . . . . 0.0 111.134 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 150.98 68.71 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.613 2.209 . . . . 0.0 112.317 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.48 -14.88 5.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.507 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.4 t -74.67 5.01 5.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.349 . . . . 0.0 110.863 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -124.6 132.51 53.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.129 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.1 m -112.48 29.13 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.125 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -170.3 140.85 1.93 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.822 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 7.1 t80 -133.41 96.62 16.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.659 0.742 . . . . 0.0 110.9 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.487 ' HB2' ' CE2' ' A' ' 23' ' ' PHE . 53.9 Cg_endo -69.79 105.93 1.58 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.741 2.294 . . . . 0.0 112.332 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.66 HD22 HG21 ' A' ' 42' ' ' VAL . 7.6 mt -79.56 127.57 32.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.5 p80 -115.88 173.61 6.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.6 t0 59.49 51.29 6.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.592 ' HB3' HG21 ' A' ' 94' ' ' THR . 11.3 mt -118.57 116.49 26.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.8 t -54.45 132.52 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.756 HD22 ' H ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -75.37 166.72 23.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.958 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 53.34 40.59 31.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 86.3 m -147.07 130.96 17.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.402 ' OD1' ' C ' ' A' ' 71' ' ' ASN . 3.4 t-20 -70.94 121.1 17.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.9 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -119.65 127.36 52.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 94.8 m -106.86 120.52 42.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.124 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -110.5 142.51 42.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.063 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.3 m -128.29 112.05 14.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.133 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.517 HG22 HG13 ' A' ' 40' ' ' ILE . 64.0 t -95.77 150.93 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 52.6 mtm-85 -143.07 173.17 11.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.486 ' O ' HG23 ' A' ' 85' ' ' THR . . . -126.44 114.45 2.03 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.432 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -86.46 101.5 13.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.778 0.323 . . . . 0.0 110.949 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 9' ' ' ASP . 18.2 mtm180 -122.01 95.33 4.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 63.92 -153.38 47.7 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.491 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 3.95 2.46 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.701 2.267 . . . . 0.0 112.347 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -120.01 173.08 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 mt -128.74 156.93 42.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 78' ' ' GLY . 12.5 p -97.95 174.98 6.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.4 p -67.35 127.06 93.37 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.656 0.741 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 148.06 64.09 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.712 2.275 . . . . 0.0 112.328 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.72 115.59 13.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.096 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.3 t -118.3 160.51 21.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.595 ' CG2' HD23 ' A' ' 14' ' ' LEU . 18.2 tt -152.71 150.66 12.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.178 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.5 m -102.33 113.79 27.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.119 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.545 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 18.4 p90 -137.53 130.41 30.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 24.2 m -75.13 147.61 40.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.087 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.592 HG21 ' HB3' ' A' ' 66' ' ' LEU . 2.4 p -97.91 153.15 18.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 60.15 77.05 0.2 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.522 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 15.5 tp -102.38 52.34 0.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.764 0.316 . . . . 0.0 110.933 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -83.96 -54.58 4.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.422 ' HB1' ' HG2' ' A' ' 100' ' ' ARG . . . -135.68 115.9 11.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.553 0.692 . . . . 0.0 111.113 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 98' ' ' ALA . 53.3 Cg_endo -69.79 0.11 6.15 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.72 2.28 . . . . 0.0 112.322 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.422 ' HG2' ' HB1' ' A' ' 98' ' ' ALA . 5.7 ptp180 -54.83 -15.15 1.73 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -124.14 -71.24 0.72 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.8 pp -54.25 150.03 9.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -65.72 138.15 57.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.958 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -147.96 127.79 13.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 11.2 ptpp? -89.49 139.67 30.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -139.53 151.73 46.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 33.6 m -41.41 157.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 77.7 p -118.85 147.26 41.96 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.552 0.691 . . . . 0.0 111.183 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 162.42 42.15 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.664 2.243 . . . . 0.0 112.277 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.0 p -112.85 151.16 30.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -164.57 159.97 33.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.58 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 168.67 20.88 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.274 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 51.2 p -128.73 172.95 10.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.834 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.3 m -137.27 177.43 7.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.464 -179.954 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.7 m -128.15 159.95 33.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.89 0.376 . . . . 0.0 110.801 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.9 p -148.08 124.62 11.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.69 171.22 29.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.467 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.9 m -108.16 93.37 4.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.914 0.388 . . . . 0.0 110.877 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.0 p -128.92 119.59 24.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.83 70.5 0.3 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.455 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -175.46 1.17 Allowed 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.746 2.297 . . . . 0.0 112.34 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.508 ' CG ' HG22 ' A' ' 85' ' ' THR . 0.7 OUTLIER -92.47 -3.1 55.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 179.918 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.406 ' N ' ' HB ' ' A' ' 85' ' ' THR . . . -109.45 -173.77 20.96 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.448 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 137.03 34.39 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.5 p -138.54 166.36 24.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 62.67 40.96 9.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.957 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.479 ' CD1' ' HB3' ' A' ' 28' ' ' TRP . 3.6 tp -69.0 140.42 55.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.943 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.445 ' HA ' HD12 ' A' ' 90' ' ' ILE . 10.9 mtp180 -141.23 162.0 36.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.17 105.04 16.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.079 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -77.12 171.1 15.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -70.98 126.22 28.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.788 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.717 ' H ' HD12 ' A' ' 19' ' ' LEU . 4.6 mp -62.91 155.76 26.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.542 HG21 ' CE2' ' A' ' 23' ' ' PHE . 13.7 t -86.46 30.73 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.169 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 59.39 34.74 22.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.24 -52.19 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.52 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.542 ' CE2' HG21 ' A' ' 20' ' ' THR . 18.3 p90 -137.96 141.54 40.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.339 . . . . 0.0 110.908 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.534 ' HB2' ' CD2' ' A' ' 19' ' ' LEU . . . -96.97 150.02 21.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.083 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -127.05 163.48 29.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.503 HD11 HD11 ' A' ' 63' ' ' LEU . 35.6 mt -105.06 139.17 40.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -124.53 118.75 27.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.528 ' HH2' HG21 ' A' ' 54' ' ' THR . 1.8 p90 -129.45 151.9 49.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.422 ' N ' ' HE3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -93.53 128.14 43.42 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.548 0.69 . . . . 0.0 110.925 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 126.14 12.97 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.741 2.294 . . . . 0.0 112.299 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 173.33 11.19 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.599 2.199 . . . . 0.0 112.317 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -46.24 -48.82 17.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -103.77 123.02 42.62 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.67 0.748 . . . . 0.0 110.831 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 132.35 23.09 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.67 2.247 . . . . 0.0 112.345 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.652 HG12 ' CG ' ' A' ' 80' ' ' ARG . 22.8 m -80.69 -177.38 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.156 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -97.25 -55.38 2.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.4 p -142.02 135.21 29.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.644 ' HB2' HG23 ' A' ' 54' ' ' THR . 90.2 m-85 -92.07 133.78 35.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -98.41 101.62 13.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.826 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.459 HG13 HG13 ' A' ' 76' ' ' VAL . 5.1 mp -102.27 137.98 28.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -137.43 113.49 9.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.442 HG21 HD13 ' A' ' 63' ' ' LEU . 86.9 t -100.53 129.07 51.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.166 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.5 p -141.59 157.58 44.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.814 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -155.72 163.32 25.11 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 0.0 111.14 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.67 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 52.7 Cg_endo -69.81 82.6 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.726 2.284 . . . . 0.0 112.29 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 117.41 -35.11 4.26 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.476 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.814 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -69.36 151.63 96.79 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.546 0.688 . . . . 0.0 111.113 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 148.33 65.29 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.696 2.264 . . . . 0.0 112.311 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 145.03 56.46 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 0.0 112.324 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.439 HD12 ' N ' ' A' ' 51' ' ' GLN . 3.7 tp -128.55 130.14 46.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.439 ' N ' HD12 ' A' ' 50' ' ' LEU . 8.1 tp60 -123.11 116.29 23.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.702 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -137.75 154.97 49.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -130.81 162.68 29.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.644 HG23 ' HB2' ' A' ' 38' ' ' TYR . 1.2 t -151.85 145.98 18.25 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.559 0.695 . . . . 0.0 111.251 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 147.96 64.56 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.74 2.293 . . . . 0.0 112.355 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.99 -16.1 5.74 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.498 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 95.1 p -82.66 19.04 1.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.815 0.34 . . . . 0.0 110.875 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -129.4 131.95 46.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.0 m -115.11 27.43 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.183 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -170.61 133.78 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.824 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.702 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 12.6 t80 -132.22 97.45 18.12 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.628 0.727 . . . . 0.0 110.951 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 61' ' ' TYR . 53.9 Cg_endo -69.76 125.09 11.74 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.647 2.231 . . . . 0.0 112.351 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.503 HD11 HD11 ' A' ' 26' ' ' LEU . 6.1 mt -108.45 120.32 42.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -105.56 -179.58 3.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.79 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 63.56 49.76 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 44.2 mt -114.6 121.46 43.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 91.8 t -55.64 133.72 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.155 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.66 155.45 31.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.975 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 60.89 49.6 5.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.5 m -161.65 139.49 9.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.203 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -76.92 133.27 39.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.837 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.583 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 10.5 m-85 -123.16 134.55 54.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.1 m -106.52 120.54 42.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.144 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -115.22 117.27 30.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.1 m -106.82 116.73 32.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.459 HG13 HG13 ' A' ' 40' ' ' ILE . 45.9 t -105.2 145.21 13.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 65.7 mtm-85 -138.13 172.92 12.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -125.46 128.52 6.59 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -94.57 100.43 12.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.763 0.316 . . . . 0.0 110.93 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.652 ' CG ' HG12 ' A' ' 35' ' ' VAL . 29.9 mmm-85 -119.76 95.52 4.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.98 -152.62 50.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.439 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 3.69 2.6 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.737 2.291 . . . . 0.0 112.291 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -121.39 178.08 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.9 mt -126.94 163.06 24.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.508 HG22 ' CG ' ' A' ' 9' ' ' ASP . 44.4 p -98.7 176.11 5.75 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.154 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 85.8 p -69.08 126.06 92.46 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.652 0.739 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 142.67 48.93 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.709 2.273 . . . . 0.0 112.395 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.39 117.4 16.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 26.3 t -126.14 152.45 45.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.826 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.445 HD12 ' HA ' ' A' ' 15' ' ' ARG . 18.7 tt -142.69 158.2 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.16 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.431 ' N ' HG12 ' A' ' 90' ' ' ILE . 0.7 OUTLIER -105.03 125.47 51.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.164 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.47 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 36.6 p90 -142.56 128.95 20.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.805 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 96.0 m -91.32 133.78 35.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.3 p -81.4 153.93 26.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 104.05 -102.65 2.17 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.508 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.9 tp 50.81 52.38 15.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.727 0.298 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.34 141.98 40.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -156.43 139.98 11.24 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.679 0.752 . . . . 0.0 111.07 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -30.33 22.11 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.737 2.291 . . . . 0.0 112.321 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 35.9 mtm180 -105.43 -74.78 0.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -168.91 136.35 1.91 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.842 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.1 tt -106.12 -54.94 2.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -114.01 -42.53 3.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.62 105.42 7.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.036 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.46 ' O ' HG13 ' A' ' 107' ' ' VAL . 45.5 tttm -89.16 109.07 19.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -53.83 127.64 26.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.46 HG13 ' O ' ' A' ' 105' ' ' LYS . 34.4 m -124.67 144.89 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 47.6 m -110.77 81.22 2.44 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.569 0.7 . . . . 0.0 111.147 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.433 ' HD3' HG23 ' A' ' 107' ' ' VAL . 53.1 Cg_endo -69.74 154.44 67.81 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.688 2.258 . . . . 0.0 112.339 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 88.1 p -111.85 163.78 13.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -130.14 124.02 4.2 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.44 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 159.47 53.26 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.629 2.219 . . . . 0.0 112.392 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 114' ' ' SER . 44.9 p -155.09 135.02 12.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.865 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 113' ' ' SER . 25.7 p -37.52 -61.62 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.553 179.932 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.9 m -84.51 42.15 0.88 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.858 0.361 . . . . 0.0 110.806 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -78.19 151.9 32.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.87 -165.24 14.32 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.494 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.7 t -48.48 -58.36 4.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.852 0.358 . . . . 0.0 110.849 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.0 t -154.09 152.59 30.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.7 -92.29 1.58 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -170.7 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.662 2.241 . . . . 0.0 112.345 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.546 ' CB ' ' CZ ' ' A' ' 80' ' ' ARG . 0.9 OUTLIER -110.64 11.47 22.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.23 -157.69 13.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.565 ' HG3' HG12 ' A' ' 76' ' ' VAL . 53.8 Cg_endo -69.73 121.69 8.38 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.624 2.216 . . . . 0.0 112.387 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 65.6 p -128.89 166.08 19.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 63.82 34.81 11.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.604 HD23 ' CG2' ' A' ' 90' ' ' ILE . 4.7 tp -58.27 125.55 23.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.965 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -127.88 172.45 10.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.804 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -125.22 105.06 8.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.878 ' O ' HD13 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -87.64 155.34 20.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.979 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.823 ' N ' HD13 ' A' ' 17' ' ' LEU . 1.6 p30 -72.76 85.12 1.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.878 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -84.79 167.96 15.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.846 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 19' ' ' LEU . 97.9 m -34.53 135.15 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' H ' ' CD ' ' A' ' 21' ' ' GLU . 0.9 OUTLIER -61.89 84.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.839 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.95 -45.84 0.82 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.468 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.495 ' CE1' ' HB2' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -92.21 108.23 19.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.894 0.378 . . . . 0.0 110.79 -179.807 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.518 ' HB1' ' CE1' ' A' ' 92' ' ' PHE . . . -92.49 137.19 32.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.045 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -135.0 159.23 41.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.158 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.5 mt -102.02 143.34 31.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -126.56 119.04 26.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.831 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.506 ' CE3' HG11 ' A' ' 76' ' ' VAL . 1.8 p90 -129.23 153.28 47.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -92.55 122.35 64.47 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.582 0.706 . . . . 0.0 110.935 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.443 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 54.0 Cg_endo -69.67 114.35 3.66 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.724 2.283 . . . . 0.0 112.322 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.443 ' HD2' ' HA ' ' A' ' 30' ' ' PRO . 53.6 Cg_endo -69.83 150.38 67.74 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.726 2.284 . . . . 0.0 112.329 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 31' ' ' PRO . 30.0 tt0 -34.28 -38.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.78 106.64 31.75 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.621 0.724 . . . . 0.0 110.869 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 110.82 2.67 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.659 2.239 . . . . 0.0 112.311 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.586 HG21 ' CE1' ' A' ' 38' ' ' TYR . 14.3 m -60.87 -175.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.113 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -97.79 -55.73 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 39.4 p -141.89 140.63 32.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.586 ' CE1' HG21 ' A' ' 35' ' ' VAL . 73.8 m-85 -97.19 126.69 42.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -94.99 100.82 12.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.839 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.514 HD13 ' HB3' ' A' ' 61' ' ' TYR . 21.2 mt -100.79 134.93 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -132.44 111.73 11.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.586 HG21 HD22 ' A' ' 63' ' ' LEU . 62.9 t -97.63 130.97 45.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 67.8 p -145.97 161.16 40.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.484 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -165.1 157.43 13.58 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.534 0.683 . . . . 0.0 111.136 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.484 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 54.2 Cg_endo -69.76 99.99 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.641 2.227 . . . . 0.0 112.321 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 99.95 27.0 8.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.553 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.76 152.04 61.57 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.627 0.727 . . . . 0.0 111.078 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.63 146.44 61.03 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.391 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 139.9 41.44 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.667 2.245 . . . . 0.0 112.312 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.409 HD23 ' HB ' ' A' ' 42' ' ' VAL . 8.1 tp -122.55 128.4 50.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -124.68 132.75 53.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.416 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -149.3 174.45 12.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.089 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -150.73 159.52 44.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.4 t -157.32 144.08 13.31 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.517 0.675 . . . . 0.0 111.169 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 144.0 52.65 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.717 2.278 . . . . 0.0 112.334 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.525 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -39.66 -45.47 2.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 56' ' ' GLY . 66.8 m -35.04 -40.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.895 0.378 . . . . 0.0 110.849 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.78 146.04 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.1 m -124.0 19.79 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -168.44 143.25 3.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.977 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.514 ' HB3' HD13 ' A' ' 40' ' ' ILE . 8.3 t80 -132.08 96.69 19.45 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.686 0.755 . . . . 0.0 110.967 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.495 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 54.0 Cg_endo -69.73 109.03 2.2 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.331 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.586 HD22 HG21 ' A' ' 42' ' ' VAL . 2.8 mt -86.59 132.17 33.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.543 ' C ' HD12 ' A' ' 66' ' ' LEU . 1.7 p80 -120.39 172.98 7.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.3 t0 68.17 44.67 1.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.552 HD23 ' CD2' ' A' ' 72' ' ' TYR . 5.7 mp -109.04 145.29 35.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.0 t -71.59 128.06 34.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.483 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -64.86 169.99 4.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.438 ' C ' ' O ' ' A' ' 68' ' ' LEU . 9.7 m-70 34.98 50.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.8 m -146.5 133.06 19.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -74.47 114.96 13.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.552 ' CD2' HD23 ' A' ' 66' ' ' LEU . 6.4 m-85 -111.44 125.78 54.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 78.1 m -101.78 123.22 45.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.078 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -109.98 152.39 25.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.056 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 39.1 m -134.87 106.35 6.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.081 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.565 HG12 ' HG3' ' A' ' 11' ' ' PRO . 29.0 t -94.37 146.46 6.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.909 ' NE ' HD21 ' A' ' 84' ' ' LEU . 20.7 mtt180 -142.41 168.64 19.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.814 ' O ' HG23 ' A' ' 85' ' ' THR . . . -126.31 110.78 1.31 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -82.9 95.69 8.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.805 0.335 . . . . 0.0 110.94 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.546 ' CZ ' ' CB ' ' A' ' 9' ' ' ASP . 23.0 mtm180 -107.33 93.79 4.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.82 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.31 -149.08 51.14 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.501 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 5.11 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.644 2.23 . . . . 0.0 112.318 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -125.36 164.86 19.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.909 HD21 ' NE ' ' A' ' 77' ' ' ARG . 8.2 tp -124.4 155.96 37.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.814 HG23 ' O ' ' A' ' 78' ' ' GLY . 2.0 p -96.51 171.3 8.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.174 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 55.4 m -66.33 130.68 94.24 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.743 0.782 . . . . 0.0 110.79 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 147.35 62.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.73 2.287 . . . . 0.0 112.341 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -131.57 115.62 16.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.8 t -117.17 154.18 31.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.863 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.604 ' CG2' HD23 ' A' ' 14' ' ' LEU . 17.7 tt -147.59 159.65 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.112 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.459 ' N ' HG12 ' A' ' 90' ' ' ILE . 4.7 m -105.92 131.63 53.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.518 ' CE1' ' HB1' ' A' ' 24' ' ' ALA . 46.8 p90 -155.77 132.24 10.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.6 m -80.22 145.5 32.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.9 p -94.84 22.68 6.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.647 ' C ' HD23 ' A' ' 96' ' ' LEU . . . -144.76 -64.4 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.521 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.647 HD23 ' C ' ' A' ' 95' ' ' GLY . 1.2 pt? 36.0 46.72 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.804 0.335 . . . . 0.0 110.954 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -128.18 70.97 1.36 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -171.38 145.54 1.82 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.558 0.694 . . . . 0.0 111.147 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -7.64 21.57 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.742 2.295 . . . . 0.0 112.335 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.464 ' HG3' ' N ' ' A' ' 101' ' ' ASP . 12.8 ptp180 -43.46 -42.48 4.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.464 ' N ' ' HG3' ' A' ' 100' ' ' ARG . 3.9 t0 -124.19 -67.4 0.92 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.0 mp -57.06 108.74 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -101.07 146.61 27.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.76 162.63 1.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -87.73 136.61 32.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -54.06 152.67 5.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.5 p -97.93 132.43 42.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.089 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.9 t -43.9 138.39 3.24 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.586 0.708 . . . . 0.0 111.137 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 111.22 2.74 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.681 2.254 . . . . 0.0 112.305 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.453 ' C ' ' HD3' ' A' ' 112' ' ' PRO . 33.5 p -67.48 141.67 56.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -111.47 62.95 0.28 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.442 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.453 ' HD3' ' C ' ' A' ' 110' ' ' SER . 54.0 Cg_endo -69.77 132.13 22.67 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.727 2.285 . . . . 0.0 112.328 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.4 t -90.75 164.18 14.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.844 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 88.4 p -163.52 176.56 9.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.825 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.469 -179.964 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 t -174.43 148.83 1.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 110.918 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 t -118.26 -47.53 2.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.67 -144.56 17.56 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.441 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.0 t -119.64 43.5 2.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.372 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.8 t -115.01 107.88 15.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.24 -83.13 0.2 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.435 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 118.5 5.72 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.663 2.242 . . . . 0.0 112.313 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -106.7 20.21 19.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.26 -170.18 23.05 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.394 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 131.89 22.19 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.344 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.8 p -136.65 175.28 9.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 54.99 37.83 29.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.484 ' CD1' ' HB3' ' A' ' 28' ' ' TRP . 6.2 tp -60.07 121.5 12.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -119.1 158.57 25.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.9 105.89 17.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.062 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.5 mt -71.31 171.1 11.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -70.95 106.66 3.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.838 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.2 mp -62.88 117.1 5.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.554 HG22 ' H ' ' A' ' 21' ' ' GLU . 1.9 m -55.57 169.38 0.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.554 ' H ' HG22 ' A' ' 20' ' ' THR . 2.8 pp20? -37.02 -28.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 20' ' ' THR . . . -169.6 39.34 0.2 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.452 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 62' ' ' PRO . 1.7 t80 -137.61 108.01 6.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.94 0.4 . . . . 0.0 110.85 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.22 127.16 45.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.077 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.49 HG12 ' HB3' ' A' ' 62' ' ' PRO . 1.3 m -134.56 159.41 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.684 HD11 HD11 ' A' ' 63' ' ' LEU . 17.2 mt -99.86 150.71 22.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -130.21 119.74 23.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.865 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.601 ' CZ2' ' CD2' ' A' ' 38' ' ' TYR . 1.8 p90 -128.41 153.38 47.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -91.98 124.83 58.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.586 0.708 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 123.29 9.95 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.691 2.261 . . . . 0.0 112.352 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.2 Cg_endo -69.74 160.0 51.32 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.589 2.193 . . . . 0.0 112.326 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 31' ' ' PRO . 56.3 tt0 -36.41 -41.6 0.29 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -109.01 122.42 39.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.588 0.708 . . . . 0.0 110.962 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 115.86 4.3 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.723 2.282 . . . . 0.0 112.278 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.2 m -63.62 180.0 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -89.63 -58.29 2.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 31.0 p -140.98 144.94 35.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.601 ' CD2' ' CZ2' ' A' ' 28' ' ' TRP . 68.6 m-85 -98.28 130.11 44.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -94.85 102.78 14.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.607 HG12 HG22 ' A' ' 76' ' ' VAL . 16.8 mt -106.0 136.18 41.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -137.94 118.44 13.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.701 HG21 HD22 ' A' ' 63' ' ' LEU . 30.5 t -106.73 132.85 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.1 p -144.86 163.49 33.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.585 ' HB2' ' CD1' ' A' ' 72' ' ' TYR . . . -161.06 152.47 15.97 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.587 0.708 . . . . 0.0 111.057 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 81.68 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 128.2 -7.84 6.72 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.511 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.555 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -110.53 154.74 42.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.524 0.678 . . . . 0.0 111.139 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.91 152.48 68.56 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.698 2.265 . . . . 0.0 112.302 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 138.22 37.57 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.685 2.257 . . . . 0.0 112.4 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.464 HD23 ' HB ' ' A' ' 42' ' ' VAL . 6.6 tp -125.61 130.44 51.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.94 136.44 53.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.401 ' HB1' ' CZ ' ' A' ' 61' ' ' TYR . . . -151.4 150.07 30.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.079 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -132.76 159.21 40.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.56 147.52 15.53 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.658 0.742 . . . . 0.0 111.106 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 145.52 57.35 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.595 2.197 . . . . 0.0 112.34 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.407 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -44.56 -38.91 5.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.2 p -40.34 -29.47 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.345 . . . . 0.0 110.902 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -91.8 148.95 21.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.071 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.0 m -120.6 16.63 6.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.178 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -170.97 151.78 3.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.407 ' HA ' ' HD2' ' A' ' 62' ' ' PRO . 38.2 t80 -139.36 111.9 7.82 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-O 121.676 0.751 . . . . 0.0 110.94 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 23' ' ' PHE . 54.4 Cg_endo -69.78 116.2 4.45 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.65 2.233 . . . . 0.0 112.361 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.701 HD22 HG21 ' A' ' 42' ' ' VAL . 8.5 mt -95.52 104.63 16.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -93.82 176.03 6.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.2 t70 63.4 52.11 2.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 81.5 mt -116.19 109.07 16.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.7 t -42.13 134.89 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.157 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.788 HD22 ' H ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -80.8 152.89 28.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.956 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 13.3 m170 64.25 41.83 5.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.803 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 48.5 m -156.24 138.58 14.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -76.59 139.89 40.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.585 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 10.2 m-85 -130.57 129.87 43.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.1 m -99.42 123.7 43.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.16 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -115.89 137.58 51.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.6 m -126.81 118.05 23.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.607 HG22 HG12 ' A' ' 40' ' ' ILE . 12.5 t -110.62 135.38 49.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.119 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 -130.13 169.44 15.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -114.11 132.67 10.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.502 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -98.09 101.12 12.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.818 0.342 . . . . 0.0 110.952 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 34.6 mtp180 -122.1 94.35 4.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 62.73 -152.44 45.64 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.444 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.77 3.87 2.53 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.687 2.258 . . . . 0.0 112.329 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -118.05 173.62 6.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.2 mt -128.99 156.91 43.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 60.0 p -95.3 177.69 5.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 83.8 p -69.43 130.38 90.85 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.633 0.73 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.82 142.38 47.5 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.639 2.226 . . . . 0.0 112.337 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -133.42 115.65 15.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.048 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 74' ' ' ALA . 9.0 t -122.58 170.04 10.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 17.3 tt -161.05 150.71 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.126 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.75 125.52 45.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -140.33 144.86 36.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 44.7 m -99.5 144.78 28.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.173 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 95' ' ' GLY . 27.4 p -97.69 174.65 6.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 94' ' ' THR . . . 36.0 38.79 0.25 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.452 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.864 HD22 ' C ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -71.06 -13.31 61.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.797 0.332 . . . . 0.0 110.926 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.471 ' N ' HD13 ' A' ' 96' ' ' LEU . 12.0 pt-20 -58.96 -15.72 14.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.5 121.99 75.85 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.614 0.721 . . . . 0.0 111.071 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 80.91 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.706 2.271 . . . . 0.0 112.359 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 -133.96 81.4 1.92 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 52.57 34.12 14.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.1 tp -74.7 -56.37 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -82.38 163.42 21.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.92 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -129.67 91.7 3.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -74.61 158.51 33.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.62 133.86 46.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.0 p -126.07 133.61 68.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 29.7 p -112.08 139.16 22.11 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.532 0.682 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.8 145.4 56.81 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.685 2.256 . . . . 0.0 112.337 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 33.7 t -149.32 149.32 30.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.807 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 168.82 78.47 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 142.64 48.39 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.265 . . . . 0.0 112.311 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.8 p -142.62 127.31 18.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 91.3 p -82.61 -51.54 7.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.1 p -126.41 99.52 5.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.819 0.343 . . . . 0.0 110.817 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.9 p -48.31 -47.46 36.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.812 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.55 -168.22 16.37 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.442 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.4 t -137.84 108.55 6.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 0.0 110.848 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.6 m 53.48 31.96 13.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.24 133.87 8.15 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.397 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.663 ' HG3' HG21 ' A' ' 12' ' ' THR . 53.3 Cg_endo -69.81 -174.75 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.668 2.246 . . . . 0.0 112.364 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.52 ' CG ' HG22 ' A' ' 85' ' ' THR . 21.5 p-10 -98.27 -16.99 19.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.859 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.418 ' N ' ' HB ' ' A' ' 85' ' ' THR . . . -118.64 -170.33 14.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.491 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.448 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 54.3 Cg_endo -69.73 132.49 23.49 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.637 2.225 . . . . 0.0 112.429 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.663 HG21 ' HG3' ' A' ' 8' ' ' PRO . 0.9 OUTLIER -140.77 173.49 11.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 -179.863 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 56.32 40.92 29.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.578 HD12 ' O ' ' A' ' 27' ' ' HIS . 8.3 tp -58.38 125.08 21.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 16' ' ' ALA . 23.0 tpt85 -113.97 150.0 34.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.422 ' N ' ' HG3' ' A' ' 15' ' ' ARG . . . -84.95 105.31 15.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.109 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.86 HD23 ' N ' ' A' ' 18' ' ' ASN . 2.4 tt -71.46 166.91 20.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.86 ' N ' HD23 ' A' ' 17' ' ' LEU . 52.5 t30 -70.91 109.48 5.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.711 ' H ' HD12 ' A' ' 19' ' ' LEU . 4.8 mp -63.09 117.87 7.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.8 OUTLIER -60.55 165.83 3.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.422 ' H ' HG22 ' A' ' 20' ' ' THR . 9.0 pt-20 -38.54 -26.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 20' ' ' THR . . . -169.38 33.12 0.17 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.456 ' CZ ' ' HB2' ' A' ' 62' ' ' PRO . 1.7 t80 -139.55 108.42 5.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.871 0.367 . . . . 0.0 110.873 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.69 131.4 45.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -134.37 158.98 42.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.083 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.7 mt -99.08 160.94 13.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.919 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.578 ' O ' HD12 ' A' ' 14' ' ' LEU . 3.9 t-80 -141.1 118.77 11.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.474 ' HB3' ' CD1' ' A' ' 14' ' ' LEU . 1.9 p90 -129.29 154.03 47.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -87.76 117.42 68.47 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.539 0.685 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.71 119.91 6.79 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.677 2.252 . . . . 0.0 112.346 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 160.01 51.27 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.685 2.257 . . . . 0.0 112.348 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -44.88 -39.93 5.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.455 ' CG ' ' NH1' ' A' ' 80' ' ' ARG . 1.7 p30 -97.31 109.46 49.97 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.606 0.717 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 111.83 2.91 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.74 2.293 . . . . 0.0 112.328 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.579 HG12 ' HD3' ' A' ' 80' ' ' ARG . 12.9 m -61.52 -177.03 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -96.19 -52.68 3.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.2 p -141.92 136.65 30.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.764 ' HB2' HG23 ' A' ' 54' ' ' THR . 83.8 m-85 -95.85 129.58 43.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -97.05 115.26 27.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.968 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.505 HG13 HG22 ' A' ' 76' ' ' VAL . 5.3 mp -113.63 136.29 50.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.165 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -130.17 115.04 16.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.66 HG21 HD13 ' A' ' 63' ' ' LEU . 59.0 t -105.65 127.16 60.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.086 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 44.6 p -141.76 163.84 31.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.101 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.745 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -161.67 165.44 16.38 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.59 0.71 . . . . 0.0 111.093 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.745 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.6 Cg_endo -69.76 86.13 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.733 2.289 . . . . 0.0 112.326 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.44 -39.67 2.68 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.671 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -65.03 149.92 96.09 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.568 0.699 . . . . 0.0 111.167 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 150.31 67.96 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.604 2.203 . . . . 0.0 112.334 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.81 135.92 31.57 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.625 2.217 . . . . 0.0 112.363 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.1 tp -117.74 129.78 55.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -123.38 121.18 35.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.896 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -143.94 166.51 24.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.091 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -139.95 169.73 17.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.764 HG23 ' HB2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -157.82 148.02 15.7 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.574 0.702 . . . . 0.0 111.088 -179.883 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 151.14 68.9 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.605 2.203 . . . . 0.0 112.349 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.34 -17.76 40.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.0 t -75.17 5.23 5.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.812 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.54 147.73 38.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.0 m -123.47 19.34 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -169.41 141.45 2.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.896 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 15.0 t80 -125.1 98.5 35.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.638 0.733 . . . . 0.0 110.889 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 23' ' ' PHE . 54.3 Cg_endo -69.66 112.05 2.96 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.66 HD13 HG21 ' A' ' 42' ' ' VAL . 13.0 mt -97.53 131.39 44.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.902 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.2 p80 -118.92 178.43 4.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.14 51.39 4.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 44.2 mt -115.08 127.3 55.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 67.8 t -59.96 132.17 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.801 HD22 ' H ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -77.64 157.63 30.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 58.51 46.74 14.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.8 m -150.29 138.46 20.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -77.81 110.3 12.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.492 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 25.0 m-85 -109.44 128.77 55.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 94.3 m -104.64 119.64 39.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.108 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -109.46 141.21 42.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.166 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.2 m -133.5 120.04 20.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.165 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.505 HG22 HG13 ' A' ' 40' ' ' ILE . 62.0 t -106.32 151.73 8.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 51.9 mtm-85 -142.18 171.29 14.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -123.91 126.31 6.13 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.444 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -96.79 102.62 14.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.791 0.329 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.579 ' HD3' HG12 ' A' ' 35' ' ' VAL . 26.8 mtm180 -121.89 94.05 4.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 67.15 -153.5 52.9 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.414 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.65 3.42 2.73 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.707 2.271 . . . . 0.0 112.365 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -120.02 175.47 5.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.0 mt -127.81 166.91 17.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.52 HG22 ' CG ' ' A' ' 9' ' ' ASP . 59.0 p -105.96 177.99 4.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.144 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.3 m -71.22 129.37 89.23 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.739 0.78 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 149.26 66.05 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.684 2.256 . . . . 0.0 112.254 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 11' ' ' PRO . . . -138.19 115.58 11.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.105 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.5 t -121.65 168.85 11.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.867 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.414 HD12 ' O ' ' A' ' 14' ' ' LEU . 16.4 tt -157.51 156.47 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.066 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 14.7 m -109.24 114.54 28.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -130.63 154.04 48.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 35.3 m -107.29 127.53 53.63 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.076 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.8 p -83.99 168.68 15.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 43.19 47.55 6.63 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.498 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -80.47 0.98 31.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.716 0.294 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -69.21 91.97 0.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.77 143.92 48.43 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.559 0.695 . . . . 0.0 111.12 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.72 -3.18 11.46 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.667 2.245 . . . . 0.0 112.34 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -101.15 136.54 40.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -38.07 134.16 0.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.1 mt -112.34 82.54 1.65 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -168.92 152.57 5.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -102.76 99.87 9.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 31.7 pttt -144.77 130.21 18.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -96.66 92.32 6.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.835 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 86.0 t -93.46 103.99 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.153 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 18.7 m -90.2 121.84 68.2 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.504 0.668 . . . . 0.0 111.14 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 165.36 31.27 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.751 2.301 . . . . 0.0 112.259 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 60.5 p -174.57 167.45 3.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -154.99 140.83 7.66 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.522 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 149.72 67.49 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.66 2.24 . . . . 0.0 112.39 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.5 m -104.63 135.74 45.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.9 t -91.66 158.04 16.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.486 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -54.51 92.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.874 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m -140.71 155.69 46.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.46 -91.04 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.7 m -54.18 157.03 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.1 m -49.2 166.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.58 78.19 0.29 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.418 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.597 ' HG2' HG21 ' A' ' 12' ' ' THR . 53.1 Cg_endo -69.88 169.86 18.08 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 0.0 112.306 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.441 ' OD2' ' NH2' ' A' ' 80' ' ' ARG . 0.9 OUTLIER -113.74 9.91 17.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.883 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -116.83 -164.57 13.6 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.525 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.461 ' HG3' HG12 ' A' ' 76' ' ' VAL . 53.8 Cg_endo -69.71 124.52 11.18 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.781 2.321 . . . . 0.0 112.306 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.597 HG21 ' HG2' ' A' ' 8' ' ' PRO . 82.3 p -127.26 172.48 10.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.165 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 56.56 38.18 29.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.409 HD12 ' HB3' ' A' ' 28' ' ' TRP . 6.6 tp -62.52 128.87 38.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.8 ttm-85 -141.5 164.23 30.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.527 ' HB2' HD13 ' A' ' 90' ' ' ILE . . . -123.82 105.38 9.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.072 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.743 ' O ' HD13 ' A' ' 19' ' ' LEU . 5.0 mp -72.49 157.26 37.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -78.82 89.65 4.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.841 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.743 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -93.05 166.75 12.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 20' ' ' THR . 10.6 t -44.88 118.01 1.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.15 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.4 ' CD ' ' HG2' ' A' ' 97' ' ' GLU . 0.9 OUTLIER -47.52 94.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.13 -56.69 0.29 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.486 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 62' ' ' PRO . 4.7 t80 -113.8 107.95 16.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.911 0.386 . . . . 0.0 110.867 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.539 ' HB3' ' CE2' ' A' ' 92' ' ' PHE . . . -100.02 145.54 27.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -135.0 163.33 36.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.579 HD21 ' HB3' ' A' ' 74' ' ' ALA . 19.4 mt -94.08 149.53 21.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.964 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -134.91 118.92 17.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.823 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.604 ' CE3' HG11 ' A' ' 76' ' ' VAL . 1.9 p90 -129.37 153.95 47.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -92.92 121.77 65.14 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.56 0.695 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 121.17 7.86 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.712 2.274 . . . . 0.0 112.331 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.0 Cg_endo -69.75 161.85 44.33 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.703 2.269 . . . . 0.0 112.352 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 31' ' ' PRO . 0.5 OUTLIER -34.32 -54.66 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.46 121.72 54.02 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.605 0.717 . . . . 0.0 110.842 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 120.24 7.05 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.783 2.322 . . . . 0.0 112.327 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.754 HG12 ' HG2' ' A' ' 80' ' ' ARG . 5.0 m -62.06 -178.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -87.94 -59.19 2.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.1 p -141.93 145.31 34.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.092 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.71 ' CE1' HG21 ' A' ' 35' ' ' VAL . 76.4 m-85 -100.24 130.64 46.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -96.94 106.5 18.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.1 mp -106.26 136.05 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -137.01 117.22 13.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.745 HG21 HD22 ' A' ' 63' ' ' LEU . 82.3 t -109.26 130.23 62.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.2 p -146.72 174.86 11.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.198 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.695 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -168.78 159.58 8.22 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.588 0.709 . . . . 0.0 111.129 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.555 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.8 Cg_endo -69.74 -9.29 25.75 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.741 2.294 . . . . 0.0 112.299 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -147.09 37.11 1.18 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.48 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.695 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -150.65 154.9 35.73 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.569 0.7 . . . . 0.0 111.093 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.407 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.5 Cg_endo -69.82 147.32 62.24 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 145.35 57.13 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.723 2.282 . . . . 0.0 112.344 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.53 HD23 ' HB ' ' A' ' 42' ' ' VAL . 6.7 tp -130.07 135.1 47.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -132.75 128.69 37.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.531 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -150.8 172.07 16.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -147.98 155.04 41.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.449 HG23 ' HB2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -148.66 151.8 36.49 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.604 0.716 . . . . 0.0 111.105 -179.869 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 148.51 65.34 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.695 2.264 . . . . 0.0 112.329 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.559 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -51.31 -34.3 33.08 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.53 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 t -52.39 -17.88 1.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.823 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.4 152.22 22.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.2 m -128.89 14.56 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.154 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -171.03 148.0 2.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.531 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 33.5 t80 -138.69 106.08 7.59 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.645 0.736 . . . . 0.0 110.961 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 23' ' ' PHE . 54.0 Cg_endo -69.77 134.2 27.38 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.652 2.234 . . . . 0.0 112.32 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.745 HD22 HG21 ' A' ' 42' ' ' VAL . 14.8 mt -104.93 136.81 43.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.669 ' C ' HD12 ' A' ' 66' ' ' LEU . 12.2 p80 -122.02 177.17 5.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.815 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 63.25 41.44 7.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.669 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.6 mp -109.9 137.41 47.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 68' ' ' LEU . 86.5 t -78.39 117.6 24.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.525 HD13 ' O ' ' A' ' 94' ' ' THR . 0.6 OUTLIER -34.66 -74.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.963 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -76.51 69.69 2.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 65.9 m -163.95 135.34 4.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -85.17 127.19 34.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.493 ' CG ' HD23 ' A' ' 66' ' ' LEU . 58.4 m-85 -119.16 125.64 49.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 45.8 m -103.34 118.9 37.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.085 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.579 ' HB3' HD21 ' A' ' 26' ' ' LEU . . . -106.51 142.43 36.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.049 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.5 m -124.35 109.24 13.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.604 HG11 ' CE3' ' A' ' 28' ' ' TRP . 21.2 t -96.4 139.48 19.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 19.3 mtt85 -140.14 152.74 46.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -107.44 121.62 6.54 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.529 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -87.8 105.24 17.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.753 0.311 . . . . 0.0 110.992 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.754 ' HG2' HG12 ' A' ' 35' ' ' VAL . 21.6 mmm-85 -122.01 95.15 4.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 61.6 -152.34 42.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.567 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 3.75 2.58 Favored 'Trans proline' 0 N--CA 1.465 -0.199 0 C-N-CA 122.676 2.251 . . . . 0.0 112.369 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -117.55 176.35 5.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.957 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.5 mt -128.73 160.89 31.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 38.6 p -102.66 176.0 5.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 49.8 m -68.43 123.6 87.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.646 0.736 . . . . 0.0 110.875 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.78 144.39 53.77 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.637 2.225 . . . . 0.0 112.332 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -126.99 116.75 21.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 29.5 t -117.52 158.17 25.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.527 HD13 ' HB2' ' A' ' 16' ' ' ALA . 7.0 tt -158.84 152.48 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.453 ' N ' HG12 ' A' ' 90' ' ' ILE . 0.7 OUTLIER -109.39 117.77 34.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.539 ' CE2' ' HB3' ' A' ' 24' ' ' ALA . 41.1 p90 -130.78 124.34 31.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.2 m -79.6 140.21 37.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.105 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.525 ' O ' HD13 ' A' ' 68' ' ' LEU . 9.0 p -97.46 26.4 4.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.084 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -152.17 31.27 0.88 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 14.3 tp -78.73 52.01 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.4 ' HG2' ' CD ' ' A' ' 21' ' ' GLU . 16.6 mt-10 -67.9 -22.63 65.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 1.102 ' HB3' HD23 ' A' ' 102' ' ' LEU . . . -123.41 163.99 30.87 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.645 0.736 . . . . 0.0 111.052 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.683 ' HD2' ' HB1' ' A' ' 98' ' ' ALA . 53.5 Cg_endo -69.79 -173.73 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.677 2.251 . . . . 0.0 112.31 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.429 ' HB3' ' NH1' ' A' ' 100' ' ' ARG . 4.3 ptp180 -36.77 -40.87 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.551 ' OD1' ' HB2' ' A' ' 104' ' ' ALA . 16.3 t0 -92.64 95.07 9.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 1.102 HD23 ' HB3' ' A' ' 98' ' ' ALA . 30.2 mt -84.59 -30.01 25.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -124.1 102.83 7.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.551 ' HB2' ' OD1' ' A' ' 101' ' ' ASP . . . -139.75 -176.39 4.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.52 150.83 28.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -126.42 160.43 30.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 89.4 t -154.55 118.6 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 66.6 m -108.41 124.37 34.71 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.604 0.716 . . . . 0.0 111.112 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -177.64 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.715 2.276 . . . . 0.0 112.346 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.4 p -161.29 144.41 12.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.847 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 171.37 83.68 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 174.26 9.8 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.6 t -172.22 153.07 2.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 35.6 p -173.3 149.55 1.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.515 179.939 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 t -89.22 91.44 8.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.853 0.359 . . . . 0.0 110.863 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.1 p -89.09 142.01 28.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.99 132.5 3.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -62.16 -45.85 91.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.872 0.368 . . . . 0.0 110.837 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -123.52 75.34 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.26 146.21 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.4 ' CB ' ' HB2' ' A' ' 86' ' ' SER . 53.9 Cg_endo -69.8 -164.53 0.13 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.667 2.244 . . . . 0.0 112.396 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -118.01 26.39 9.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.82 -155.93 7.19 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.51 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.425 ' CB ' ' HB2' ' A' ' 28' ' ' TRP . 54.5 Cg_endo -69.69 122.81 9.51 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.712 2.275 . . . . 0.0 112.387 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.3 p -126.48 177.11 6.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 51.18 36.12 15.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.505 HD23 ' CG2' ' A' ' 90' ' ' ILE . 5.8 tp -57.94 112.39 1.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.7 mtt180 -113.74 151.5 31.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.8 113.46 22.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.69 HD22 ' NE2' ' A' ' 27' ' ' HIS . 5.3 tp -72.17 157.93 36.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -71.68 121.18 18.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.798 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.7 ' H ' HD12 ' A' ' 19' ' ' LEU . 3.9 mp -62.95 152.43 36.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 t -121.63 84.41 2.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 67.08 51.14 0.96 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.3 54.61 3.98 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.464 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.603 ' CZ ' ' HB2' ' A' ' 62' ' ' PRO . 4.9 t80 -139.27 107.73 5.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.905 0.383 . . . . 0.0 110.854 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.512 ' HB1' ' CE1' ' A' ' 92' ' ' PHE . . . -100.2 116.88 33.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.122 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -126.35 152.86 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.2 mt -96.25 151.22 19.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.69 ' NE2' HD22 ' A' ' 17' ' ' LEU . 4.3 m-70 -137.66 120.32 16.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.582 ' CE3' HG11 ' A' ' 76' ' ' VAL . 2.2 p90 -129.25 154.21 47.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -94.28 125.71 51.21 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.614 0.721 . . . . 0.0 110.884 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.447 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 54.6 Cg_endo -69.71 111.91 2.93 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.628 2.219 . . . . 0.0 112.363 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.447 ' HD2' ' HA ' ' A' ' 30' ' ' PRO . 53.6 Cg_endo -69.72 167.72 23.58 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.249 . . . . 0.0 112.359 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -48.9 -51.26 30.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -72.16 111.83 12.29 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.598 0.713 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.77 113.98 3.55 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.653 2.235 . . . . 0.0 112.33 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.855 HG21 ' CE1' ' A' ' 38' ' ' TYR . 23.1 m -75.85 179.76 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.09 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -107.48 -55.96 2.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.479 ' O ' HD23 ' A' ' 79' ' ' LEU . 16.0 p -142.4 139.74 31.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.098 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.855 ' CE1' HG21 ' A' ' 35' ' ' VAL . 84.6 m-85 -96.05 129.83 43.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -95.94 103.03 14.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.1 mp -98.88 132.79 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.139 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -132.36 117.07 17.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.466 HG21 HD22 ' A' ' 63' ' ' LEU . 43.4 t -110.09 132.27 58.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 38.6 p -143.86 172.17 13.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.109 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.76 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -169.32 150.54 4.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.555 0.693 . . . . 0.0 111.176 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 82.26 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.723 2.282 . . . . 0.0 112.341 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 125.17 -17.67 7.05 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.439 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.76 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -98.45 154.6 37.49 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.566 0.698 . . . . 0.0 111.102 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 150.15 67.85 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.755 2.303 . . . . 0.0 112.343 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 148.82 65.96 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.676 2.251 . . . . 0.0 112.397 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.1 tp -133.32 132.39 41.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.44 ' C ' ' CD ' ' A' ' 51' ' ' GLN . 8.9 tm0? -124.97 135.6 52.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -155.47 145.13 21.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.045 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -125.07 161.11 27.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.519 ' OG1' ' HB3' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -156.24 139.9 11.29 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.59 0.709 . . . . 0.0 111.177 -179.907 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 151.98 69.36 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.733 2.289 . . . . 0.0 112.33 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 58' ' ' ALA . . . -45.0 -45.92 9.39 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.518 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.8 p -39.36 -25.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.937 0.399 . . . . 0.0 110.927 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.519 ' HB3' ' OG1' ' A' ' 54' ' ' THR . . . -93.03 143.94 25.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.105 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.3 m -123.47 17.3 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.7 p30 -171.23 149.43 2.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -139.89 107.07 6.9 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.673 0.749 . . . . 0.0 110.893 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.603 ' HB2' ' CZ ' ' A' ' 23' ' ' PHE . 53.4 Cg_endo -69.72 122.9 9.59 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.668 2.245 . . . . 0.0 112.364 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.466 HD22 HG21 ' A' ' 42' ' ' VAL . 10.0 mt -97.99 112.49 24.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -108.2 167.93 9.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.6 t70 70.95 44.32 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 36.0 mt -112.19 137.45 50.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.2 t -66.49 134.57 29.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.076 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.814 HD22 ' H ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -75.06 162.89 28.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 50.48 43.57 27.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 59.5 m -144.93 127.47 16.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.157 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -71.93 98.18 1.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.51 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 11.7 m-85 -93.67 121.35 35.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.7 m -95.35 123.46 38.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.062 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -112.08 153.42 26.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.055 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.2 m -137.78 116.64 12.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.582 HG11 ' CE3' ' A' ' 28' ' ' TRP . 45.0 t -109.38 142.52 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 -138.7 179.86 6.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -129.53 128.71 5.81 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.479 HD23 ' O ' ' A' ' 37' ' ' THR . 4.3 mm? -87.58 92.65 9.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.773 0.32 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.566 ' HG3' HG12 ' A' ' 35' ' ' VAL . 42.0 mtp180 -112.85 97.1 6.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.813 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.412 ' HA3' ' HD2' ' A' ' 82' ' ' PRO . . . 64.4 -147.89 50.97 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.496 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.412 ' HD2' ' HA3' ' A' ' 81' ' ' GLY . 53.4 Cg_endo -69.74 3.1 2.96 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.728 2.285 . . . . 0.0 112.308 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -133.37 174.94 9.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.954 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.5 mp -123.25 166.17 15.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.938 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 19.5 p -86.19 178.48 7.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.197 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.4 ' HB2' ' CB ' ' A' ' 8' ' ' PRO . 23.0 m -66.47 132.49 94.26 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.664 0.745 . . . . 0.0 110.873 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 137.18 34.72 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.715 2.277 . . . . 0.0 112.295 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -125.8 115.57 20.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.7 t -117.5 149.7 40.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.505 ' CG2' HD23 ' A' ' 14' ' ' LEU . 17.6 tt -145.85 147.98 17.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.158 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.1 m -101.92 118.44 36.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.512 ' CE1' ' HB1' ' A' ' 24' ' ' ALA . 38.9 p90 -136.21 133.91 37.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 88.6 m -84.47 132.12 34.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.3 p -89.05 151.14 22.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.179 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 42.42 85.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.471 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.728 HD23 ' H ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER -91.43 57.86 3.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.783 0.325 . . . . 0.0 110.906 -179.876 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -78.87 76.71 5.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.825 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.527 ' HB1' ' HD2' ' A' ' 99' ' ' PRO . . . -137.42 158.83 71.43 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.581 0.705 . . . . 0.0 111.09 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.527 ' HD2' ' HB1' ' A' ' 98' ' ' ALA . 53.6 Cg_endo -69.76 -163.93 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.709 2.272 . . . . 0.0 112.304 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 66.5 mtm180 -75.81 55.48 0.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -114.91 -42.2 3.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 18.9 mt -50.94 -46.05 60.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -105.31 175.69 5.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -161.81 138.09 8.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.212 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 43.3 pttt -115.77 176.82 4.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -160.59 137.18 8.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.4 p -129.0 143.46 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.093 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.6 t -100.58 134.75 20.41 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.629 0.728 . . . . 0.0 111.171 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 174.53 9.37 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.661 2.24 . . . . 0.0 112.339 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.5 t -128.4 169.12 14.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 121.88 89.43 1.01 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.468 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -47.67 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.65 2.234 . . . . 0.0 112.355 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.3 p -172.92 173.63 3.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.7 t -173.62 129.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.913 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.483 -179.937 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t 42.02 43.3 2.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.887 0.375 . . . . 0.0 110.889 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -93.44 41.38 1.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.906 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.94 -142.54 17.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.469 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 p -42.58 -27.63 0.18 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.864 0.364 . . . . 0.0 110.849 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -84.89 80.28 9.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.64 -170.87 14.6 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.452 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 90.17 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.674 2.249 . . . . 0.0 112.378 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.541 ' OD1' ' ND2' ' A' ' 33' ' ' ASN . 40.6 m-20 -93.7 23.6 4.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.0 -165.05 18.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.548 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 141.88 46.54 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.7 2.266 . . . . 0.0 112.354 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.8 p -143.8 -179.64 6.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.145 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 53.39 29.35 8.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.607 HD23 ' HB ' ' A' ' 90' ' ' ILE . 4.6 tp -60.38 139.96 57.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.417 ' HA ' HD13 ' A' ' 90' ' ' ILE . 32.2 mtp180 -154.46 155.69 35.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -119.68 107.93 13.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.758 ' O ' HD13 ' A' ' 19' ' ' LEU . 13.2 mt -82.88 166.87 18.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.7 p-10 -81.8 90.14 6.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.758 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -98.55 169.03 9.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 22' ' ' GLY . 9.9 t -38.24 120.06 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.108 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -58.2 79.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 20' ' ' THR . . . 178.31 -44.82 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 64' ' ' HIS . 0.6 OUTLIER -127.47 108.02 10.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 110.845 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.99 143.25 30.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.107 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -127.54 162.79 32.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.5 mt -100.16 142.36 31.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.424 ' O ' HD12 ' A' ' 14' ' ' LEU . 10.7 t-80 -125.97 118.88 26.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.856 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.491 ' HB3' ' CD1' ' A' ' 14' ' ' LEU . 1.9 p90 -129.46 154.12 47.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.37 123.05 61.61 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.588 0.709 . . . . 0.0 110.923 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.422 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 53.6 Cg_endo -69.7 115.23 3.99 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.702 2.268 . . . . 0.0 112.353 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 32' ' ' GLN . 54.3 Cg_endo -69.74 150.63 68.57 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.383 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 31' ' ' PRO . 8.5 tp-100 -34.26 -46.01 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.541 ' ND2' ' OD1' ' A' ' 9' ' ' ASP . 1.0 OUTLIER -92.57 106.78 19.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.62 0.724 . . . . 0.0 110.899 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 116.13 4.42 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.696 2.264 . . . . 0.0 112.383 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.671 HG12 ' HG3' ' A' ' 80' ' ' ARG . 27.0 m -65.15 -175.68 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.127 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -97.65 -53.19 3.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.814 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.0 p -140.76 137.24 33.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.813 ' HB2' HG23 ' A' ' 54' ' ' THR . 84.7 m-85 -94.86 125.53 39.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -95.75 112.41 24.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.826 HG12 HG22 ' A' ' 76' ' ' VAL . 19.9 mt -113.52 135.98 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -129.67 107.92 9.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.846 HG21 HD22 ' A' ' 63' ' ' LEU . 2.0 t -103.18 118.41 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.6 p -138.56 161.12 37.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.47 154.7 16.06 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.64 0.733 . . . . 0.0 111.09 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.87 95.23 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.595 2.197 . . . . 0.0 112.352 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.02 17.25 6.89 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.447 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -142.23 156.8 64.28 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.585 0.707 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.447 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 54.0 Cg_endo -69.77 158.15 57.93 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.647 2.231 . . . . 0.0 112.375 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 146.05 59.44 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.632 2.221 . . . . 0.0 112.352 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.491 ' CD1' ' C ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -112.29 121.37 44.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.47 ' N ' HD13 ' A' ' 50' ' ' LEU . 4.6 tm0? -125.98 114.5 18.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.447 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -155.04 143.12 20.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -120.84 160.09 24.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.955 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.813 HG23 ' HB2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -145.5 152.28 49.16 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.595 0.712 . . . . 0.0 111.16 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 149.6 67.55 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.258 . . . . 0.0 112.308 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.486 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -59.49 -15.01 30.43 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.7 t -79.21 11.68 2.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.807 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -110.75 157.16 20.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.091 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.695 HG23 ' OD2' ' A' ' 60' ' ' ASP . 29.7 m -125.96 -7.95 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.171 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.695 ' OD2' HG23 ' A' ' 59' ' ' VAL . 6.7 m-20 -154.24 150.36 27.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.447 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 15.8 t80 -134.97 99.36 12.46 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.757 0.789 . . . . 0.0 110.877 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.46 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 53.8 Cg_endo -69.66 117.66 5.21 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.743 2.296 . . . . 0.0 112.338 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.846 HD22 HG21 ' A' ' 42' ' ' VAL . 4.4 mt -92.72 132.92 36.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.949 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.577 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 5.5 p80 -117.63 164.73 14.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.4 t0 71.17 47.34 0.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.489 HD11 ' HB2' ' A' ' 63' ' ' LEU . 55.2 mt -110.57 120.25 41.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 86.4 t -54.92 130.88 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.195 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.434 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 1.2 mm? -77.74 158.14 29.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 61.15 46.67 7.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.8 m -157.89 130.79 7.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -72.38 111.24 7.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -104.29 133.17 49.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 56.1 m -102.01 119.97 39.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.103 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -111.84 131.29 55.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.0 m -123.65 119.72 30.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.826 HG22 HG12 ' A' ' 40' ' ' ILE . 24.8 t -105.99 145.52 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.5 mtm-85 -138.96 168.03 20.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -120.85 134.84 10.44 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.444 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -100.41 102.35 13.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.797 0.332 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.671 ' HG3' HG12 ' A' ' 35' ' ' VAL . 24.9 mtp180 -122.06 94.16 4.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.68 -152.88 50.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 3.54 2.7 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.783 2.322 . . . . 0.0 112.283 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -119.42 177.59 4.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.3 mt -128.46 164.98 21.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 40.3 p -102.31 176.53 5.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 82.6 p -69.21 124.13 89.76 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.683 0.754 . . . . 0.0 110.918 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 138.91 39.03 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.742 2.294 . . . . 0.0 112.386 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -122.8 115.66 22.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.9 t -108.22 152.69 24.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.837 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.607 ' HB ' HD23 ' A' ' 14' ' ' LEU . 1.4 tp -142.21 139.72 29.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.13 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.486 ' N ' HG13 ' A' ' 90' ' ' ILE . 34.0 m -109.55 110.02 20.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.158 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -135.84 155.64 50.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 57.6 m -99.72 138.51 36.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.5 p -77.13 -54.35 6.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -94.72 130.03 10.14 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.454 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.3 tp -116.67 14.24 15.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.76 0.314 . . . . 0.0 110.938 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -59.07 116.4 3.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -170.45 154.35 4.67 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.619 0.723 . . . . 0.0 111.046 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -164.45 0.13 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.69 2.26 . . . . 0.0 112.401 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -74.24 62.47 0.94 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -130.57 -47.13 1.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.5 mt -41.95 -44.8 3.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -87.77 176.08 7.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 105' ' ' LYS . . . -123.15 44.59 2.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.598 ' O ' HG23 ' A' ' 107' ' ' VAL . 13.3 tptp 37.8 53.11 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.463 ' CD ' ' O ' ' A' ' 106' ' ' GLU . 2.8 pp20? -48.18 109.8 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 105' ' ' LYS . 49.5 t -118.92 140.37 43.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.22 135.01 28.8 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.522 0.677 . . . . 0.0 111.154 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 144.55 54.81 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.672 2.248 . . . . 0.0 112.334 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.8 t -79.95 172.4 13.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -111.1 83.37 0.32 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.439 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 152.87 69.63 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.68 2.253 . . . . 0.0 112.357 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 92.9 p -126.78 139.22 53.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.9 t -117.2 163.64 15.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 -179.936 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.7 t -126.99 81.88 2.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 110.88 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -49.62 129.93 20.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.96 82.86 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.1 p -48.35 142.5 5.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.796 0.332 . . . . 0.0 110.889 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.4 m -108.92 97.36 7.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.825 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.96 69.21 0.41 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.464 ' CG ' HG21 ' A' ' 12' ' ' THR . 54.4 Cg_endo -69.69 -163.84 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.678 2.252 . . . . 0.0 112.378 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.51 ' HB2' HG22 ' A' ' 85' ' ' THR . 4.3 m-20 -123.81 -10.46 7.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.96 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -107.02 -166.75 22.27 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.446 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.415 ' HG3' HG12 ' A' ' 76' ' ' VAL . 53.9 Cg_endo -69.74 138.66 38.43 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.644 2.229 . . . . 0.0 112.383 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.464 HG21 ' CG ' ' A' ' 8' ' ' PRO . 48.7 p -137.29 174.05 11.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 49.99 35.92 10.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 28' ' ' TRP . 8.8 tp -58.1 130.49 46.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -135.93 -178.92 5.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.18 104.94 7.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.128 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.798 ' O ' HD13 ' A' ' 19' ' ' LEU . 1.8 pt? -74.69 171.24 14.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.823 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -70.64 85.06 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.798 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -74.89 163.42 27.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 47.9 p -48.65 172.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -82.55 45.22 0.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.86 -54.35 0.16 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.472 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.49 ' CE1' ' HB2' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -85.23 108.39 17.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.923 0.392 . . . . 0.0 110.93 -179.893 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.86 148.2 24.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -135.03 163.77 35.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.406 HD11 HD11 ' A' ' 63' ' ' LEU . 20.6 mt -101.48 141.4 34.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.94 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.576 ' CE1' HD22 ' A' ' 17' ' ' LEU . 3.4 m170 -125.81 119.15 27.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.761 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.485 ' CZ2' ' CD2' ' A' ' 38' ' ' TYR . 1.7 p90 -129.25 149.03 51.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -90.57 122.56 66.99 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.599 0.714 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 123.61 10.27 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.68 2.253 . . . . 0.0 112.334 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.7 Cg_endo -69.78 163.84 36.78 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.377 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 31' ' ' PRO . 6.3 tt0 -37.6 -48.08 0.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -104.38 121.43 47.38 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.591 0.71 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.63 129.09 17.13 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.703 2.269 . . . . 0.0 112.356 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.622 HG21 ' CE1' ' A' ' 38' ' ' TYR . 33.2 m -71.52 -174.87 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.174 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -95.62 -57.76 2.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.1 p -140.7 142.93 34.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.108 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.622 ' CE1' HG21 ' A' ' 35' ' ' VAL . 71.5 m-85 -99.66 126.39 45.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -95.43 97.05 9.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.407 ' N ' HD12 ' A' ' 40' ' ' ILE . 5.2 mp -97.31 138.83 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -137.92 109.58 7.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.649 HG21 HD22 ' A' ' 63' ' ' LEU . 96.1 t -99.94 127.35 52.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.8 p -146.75 168.52 21.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.212 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.416 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -173.68 154.64 2.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.575 0.702 . . . . 0.0 111.098 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 107.73 1.93 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.644 2.229 . . . . 0.0 112.342 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.77 20.23 37.78 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.416 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -136.18 152.69 75.77 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.538 0.685 . . . . 0.0 111.095 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 132.37 23.19 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.398 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.64 147.17 63.07 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.67 2.246 . . . . 0.0 112.312 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' ' 51' ' ' GLN . 3.5 tp -132.98 130.56 39.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.526 ' N ' HD12 ' A' ' 50' ' ' LEU . 60.0 tt0 -130.95 140.4 50.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.605 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -159.16 177.96 10.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -145.86 159.53 43.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.2 t -156.51 144.46 14.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.58 0.705 . . . . 0.0 111.203 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.75 146.28 59.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.651 2.234 . . . . 0.0 112.342 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.449 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -42.58 -40.18 3.7 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.465 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' GLY . 3.7 m -37.61 -32.49 0.05 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.902 0.382 . . . . 0.0 110.923 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 56' ' ' GLY . . . -87.44 150.43 23.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.048 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.2 m -125.94 16.42 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -166.89 146.64 5.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.605 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 11.6 t80 -132.22 99.25 16.31 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.691 0.758 . . . . 0.0 111.002 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.49 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 54.0 Cg_endo -69.72 129.02 16.91 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.649 HD22 HG21 ' A' ' 42' ' ' VAL . 4.3 mt -111.36 136.48 50.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -120.14 178.2 4.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.816 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 59.48 55.07 4.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.432 ' CB ' HG21 ' A' ' 94' ' ' THR . 10.0 mt -124.9 123.98 41.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.1 t -58.51 113.54 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.149 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.679 HD22 ' H ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -42.04 -63.17 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.961 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -74.34 61.54 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.1 m -167.44 121.75 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -79.95 108.51 13.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -92.37 122.04 34.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.959 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 78.5 m -89.65 119.08 29.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.173 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -107.86 143.46 36.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.5 m -128.32 105.04 8.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.084 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.474 HG11 ' CE3' ' A' ' 28' ' ' TRP . 24.8 t -91.53 144.11 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.807 ' HD2' HD11 ' A' ' 84' ' ' LEU . 49.2 mtm-85 -139.74 163.84 31.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.472 ' O ' HG23 ' A' ' 85' ' ' THR . . . -121.61 114.15 2.48 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.61 103.69 16.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.834 0.349 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.501 ' HG3' HG12 ' A' ' 35' ' ' VAL . 45.5 mtp180 -121.73 96.83 5.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 67.26 -152.7 52.8 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 2.93 3.08 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.616 2.211 . . . . 0.0 112.379 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -121.06 162.9 19.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.807 HD11 ' HD2' ' A' ' 77' ' ' ARG . 7.9 tp -120.32 151.5 39.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.51 HG22 ' HB2' ' A' ' 9' ' ' ASP . 33.7 p -91.39 168.24 11.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.1 p -66.41 128.77 94.02 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 121.637 0.732 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 152.68 69.26 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.67 2.246 . . . . 0.0 112.322 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -139.12 115.52 10.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.5 t -114.16 167.98 10.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.828 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 11.8 tt -162.48 147.97 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.134 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 5.5 m -100.33 119.95 39.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.148 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -138.96 130.12 26.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.44 142.63 32.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.432 HG21 ' CB ' ' A' ' 66' ' ' LEU . 3.3 p -94.89 17.72 13.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -146.93 -40.72 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.8 tp -77.36 47.0 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 110.93 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -106.28 -75.02 0.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -128.22 73.03 79.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.651 0.738 . . . . 0.0 111.175 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.469 ' CG ' ' HG ' ' A' ' 102' ' ' LEU . 52.7 Cg_endo -69.76 -166.34 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.698 2.265 . . . . 0.0 112.318 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -118.43 -34.65 3.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -101.2 -64.0 1.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.777 ' H ' HD23 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -64.02 78.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -92.59 -65.52 0.99 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.19 138.91 58.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -92.46 -34.85 13.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -143.09 132.68 23.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.477 ' O ' HG13 ' A' ' 107' ' ' VAL . 9.8 p -107.92 126.67 64.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.169 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.0 p -114.61 146.42 35.94 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.599 0.714 . . . . 0.0 111.158 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 110' ' ' SER . 53.8 Cg_endo -69.75 134.62 28.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.324 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 109' ' ' PRO . 18.9 p -35.68 127.1 0.66 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -85.61 -152.02 17.75 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 139.98 41.51 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.592 2.194 . . . . 0.0 112.376 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.5 t -146.43 169.23 19.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.801 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 67.2 m -43.65 160.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.782 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.512 -179.913 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.455 ' HB2' HG22 ' A' ' 85' ' ' THR . 65.6 m-20 . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.949 0.404 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.89 -177.65 20.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.438 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.431 ' HG3' HG12 ' A' ' 76' ' ' VAL . 53.9 Cg_endo -69.74 137.01 34.52 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.656 2.237 . . . . 0.0 112.344 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.7 p -140.58 173.43 11.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.174 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 55.21 40.14 31.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.875 HD23 ' CG2' ' A' ' 90' ' ' ILE . 6.2 tp -58.71 125.21 22.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.977 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.416 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 47.5 ttt85 -122.93 154.86 37.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.921 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.416 ' N ' ' HG2' ' A' ' 15' ' ' ARG . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.44 ' HB1' ' CE1' ' A' ' 92' ' ' PHE . . . . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.813 0.34 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.418 ' CG1' ' HB3' ' A' ' 62' ' ' PRO . 1.8 m -134.6 164.87 32.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.177 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.1 mt -104.38 151.67 23.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -138.34 118.99 13.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.598 ' CE3' HG11 ' A' ' 76' ' ' VAL . 2.3 p90 -127.75 153.76 46.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -93.68 124.06 58.03 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.554 0.692 . . . . 0.0 110.891 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 125.8 12.63 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.682 2.255 . . . . 0.0 112.357 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 32' ' ' GLN . 54.3 Cg_endo -69.83 166.09 28.86 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 31' ' ' PRO . 5.7 tp-100 -37.28 -45.47 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.953 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.64 123.26 35.2 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.668 0.746 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 141.68 45.52 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.311 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.765 HG12 ' CG ' ' A' ' 80' ' ' ARG . 9.5 m -85.38 -176.0 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -97.05 -49.91 4.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.823 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.2 p -142.11 139.24 32.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.166 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.695 ' CE1' HG21 ' A' ' 35' ' ' VAL . 94.6 m-85 -101.33 126.46 48.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -94.99 113.81 25.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.458 HG13 HG22 ' A' ' 76' ' ' VAL . 4.5 mp -112.2 136.53 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -130.45 113.93 14.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.8 t -104.77 126.61 59.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.1 p -146.98 160.67 42.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.66 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -159.97 162.56 24.25 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.622 0.725 . . . . 0.0 111.052 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.655 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.8 Cg_endo -69.74 88.4 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.723 2.282 . . . . 0.0 112.4 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.32 -38.01 3.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.66 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -70.05 151.87 95.97 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.616 0.722 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 147.96 64.0 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 143.17 49.85 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.692 2.261 . . . . 0.0 112.286 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.6 tp -129.8 130.11 44.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -127.3 136.19 51.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.561 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -156.22 177.02 11.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.091 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -150.09 156.25 41.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.658 HG23 ' HB2' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -141.67 147.55 46.14 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.555 0.693 . . . . 0.0 111.132 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 146.47 60.29 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.68 2.253 . . . . 0.0 112.315 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.63 -16.59 5.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.494 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 92.4 p -81.9 17.21 1.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 110.879 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.25 140.93 51.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.002 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.8 m -121.75 25.53 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -169.39 138.37 1.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.561 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 11.2 t80 -132.9 96.44 17.99 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.639 0.733 . . . . 0.0 110.965 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.418 ' HB3' ' CG1' ' A' ' 25' ' ' VAL . 53.2 Cg_endo -69.78 123.59 10.24 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.66 2.24 . . . . 0.0 112.387 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.3 mt -102.15 134.98 44.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.618 ' C ' HD12 ' A' ' 66' ' ' LEU . 1.1 p80 -121.52 179.52 4.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 63.72 31.95 14.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.79 ' HB3' HG21 ' A' ' 94' ' ' THR . 5.5 mp -99.91 135.35 41.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.403 HG23 ' OH ' ' A' ' 72' ' ' TYR . 89.2 t -69.5 115.19 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.159 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.779 HD13 ' O ' ' A' ' 94' ' ' THR . 0.5 OUTLIER -38.64 -70.89 0.09 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -75.33 70.14 2.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.4 m -169.94 126.96 0.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -82.47 109.73 16.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.559 ' CD2' HD23 ' A' ' 66' ' ' LEU . 67.2 m-85 -96.84 120.58 37.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 62.0 m -94.49 119.1 32.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -107.8 146.54 32.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.093 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.6 m -131.55 102.75 6.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.598 HG11 ' CE3' ' A' ' 28' ' ' TRP . 21.5 t -89.05 146.79 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.434 ' NH2' ' HB3' ' A' ' 84' ' ' LEU . 5.1 mtp180 -139.86 174.12 10.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.54 ' O ' HG23 ' A' ' 85' ' ' THR . . . -126.8 113.52 1.79 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.451 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -84.76 100.35 11.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.765 ' CG ' HG12 ' A' ' 35' ' ' VAL . 30.5 mmm-85 -118.25 94.66 4.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.14 -152.23 52.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.539 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 3.67 2.62 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.671 2.248 . . . . 0.0 112.382 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -120.84 175.89 5.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.434 ' HB3' ' NH2' ' A' ' 77' ' ' ARG . 6.1 mt -125.72 167.0 15.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.915 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 78' ' ' GLY . 45.3 p -107.34 177.34 4.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.147 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 53.1 p -70.59 124.82 91.58 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.699 0.762 . . . . 0.0 110.812 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 151.8 68.75 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.746 2.297 . . . . 0.0 112.319 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -131.5 115.7 16.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.7 t -114.85 153.79 29.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.875 ' CG2' HD23 ' A' ' 14' ' ' LEU . 12.1 tt -158.58 150.09 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.5 m -101.85 126.87 48.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.538 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 29.0 p90 -145.99 124.29 12.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.1 m -74.07 145.33 44.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.79 HG21 ' HB3' ' A' ' 66' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 . . . . . 0 CA--C 1.527 0.073 0 CA-C-O 120.831 0.348 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -116.16 179.73 17.9 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.45 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.585 ' HG3' HG12 ' A' ' 76' ' ' VAL . 53.5 Cg_endo -69.76 129.25 17.26 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.713 2.275 . . . . 0.0 112.322 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.7 p -134.19 168.97 17.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 67.01 28.93 8.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.531 HD23 ' HB ' ' A' ' 90' ' ' ILE . 3.8 tp -59.54 137.35 58.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -153.47 164.25 38.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.1 179.892 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.581 ' HB3' ' CE2' ' A' ' 92' ' ' PHE . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.798 0.332 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -135.14 165.07 31.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.079 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.2 mt -109.32 122.19 46.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -108.98 118.76 37.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.828 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.456 ' CD1' ' C ' ' A' ' 28' ' ' TRP . 1.7 p90 -129.57 154.17 47.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -97.12 129.37 32.4 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.648 0.737 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.62 122.43 9.15 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.367 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 32' ' ' GLN . 54.1 Cg_endo -69.67 160.65 48.91 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.696 2.264 . . . . 0.0 112.349 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 31' ' ' PRO . 51.1 tp60 -34.09 -54.87 0.5 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.544 ' ND2' ' CZ ' ' A' ' 80' ' ' ARG . 2.0 t30 -96.67 122.28 57.49 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.599 0.714 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 143.99 52.33 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.713 2.275 . . . . 0.0 112.261 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.9 m -92.11 -174.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -101.37 -53.72 2.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.0 137.65 31.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.232 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.613 ' HB2' HG23 ' A' ' 54' ' ' THR . 79.8 m-85 -95.53 129.44 42.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.872 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -97.01 105.72 17.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.2 mp -107.46 142.16 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.67 125.73 27.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.695 HG21 HD22 ' A' ' 63' ' ' LEU . 22.8 t -113.06 126.9 70.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.166 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.1 p -147.1 165.32 30.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.185 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.48 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -171.09 157.43 4.93 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.593 0.711 . . . . 0.0 111.077 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.48 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.2 Cg_endo -69.81 102.09 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.607 2.204 . . . . 0.0 112.346 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.1 31.49 7.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.46 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.22 151.26 51.21 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.597 0.713 . . . . 0.0 111.091 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 144.66 54.73 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.659 2.239 . . . . 0.0 112.337 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.75 148.33 64.9 Favored 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 122.673 2.249 . . . . 0.0 112.427 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.3 tp -135.33 132.5 37.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.844 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -127.05 133.55 50.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.698 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -150.49 162.02 41.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -139.96 159.41 42.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.613 HG23 ' HB2' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -149.6 146.17 20.33 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.583 0.706 . . . . 0.0 111.154 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 148.33 65.27 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.712 2.274 . . . . 0.0 112.372 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.56 -13.81 3.16 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.534 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.1 t -77.66 8.56 4.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.836 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.73 143.8 49.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.124 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.0 m -123.79 23.63 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -170.55 131.84 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.698 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 15.5 t80 -128.43 96.39 30.71 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.662 0.744 . . . . 0.0 110.957 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 61' ' ' TYR . 53.4 Cg_endo -69.81 128.15 15.57 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.697 2.265 . . . . 0.0 112.271 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.695 HD22 HG21 ' A' ' 42' ' ' VAL . 4.2 mt -102.33 136.16 42.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -122.19 173.54 7.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.812 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.4 t70 65.18 50.26 1.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.1 mt -114.18 141.04 48.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 81.7 t -81.82 130.51 35.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.722 HD22 ' H ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -70.46 177.49 3.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 45.56 35.42 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.2 m -141.84 146.46 35.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -92.22 105.32 17.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -97.3 129.88 44.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.8 m -105.05 127.29 52.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.161 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.459 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -115.51 152.06 33.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.028 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.3 m -140.1 110.8 6.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.585 HG12 ' HG3' ' A' ' 11' ' ' PRO . 49.6 t -99.16 141.89 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.154 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 44.7 mtm-85 -139.58 159.25 42.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.429 ' O ' HG23 ' A' ' 85' ' ' THR . . . -111.41 120.3 5.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.503 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -88.18 101.02 13.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.844 0.354 . . . . 0.0 110.956 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.544 ' CZ ' ' ND2' ' A' ' 33' ' ' ASN . 31.7 mtp180 -118.63 97.0 5.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 59.31 -150.71 36.87 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.411 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.64 3.64 2.6 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.735 2.29 . . . . 0.0 112.353 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -118.94 174.99 5.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.8 mt -128.64 165.27 21.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.949 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 78' ' ' GLY . 36.2 p -104.75 177.94 4.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 91.3 p -70.75 127.42 91.87 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.667 0.746 . . . . 0.0 110.851 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 145.6 57.62 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.336 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -135.06 115.47 13.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 74' ' ' ALA . 7.5 t -119.61 168.89 10.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.531 ' HB ' HD23 ' A' ' 14' ' ' LEU . 13.7 tt -157.41 155.92 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.141 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.424 ' N ' HG12 ' A' ' 90' ' ' ILE . 3.7 m -110.44 110.04 20.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.581 ' CE2' ' HB3' ' A' ' 24' ' ' ALA . 39.4 p90 -131.66 129.62 41.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.3 m -88.0 142.01 28.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.081 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.9 p . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.0 t0 . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.846 0.355 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.417 ' N ' ' HB ' ' A' ' 85' ' ' THR . . . -107.08 -179.31 22.6 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.462 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 135.3 30.08 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.0 p -135.73 -179.99 5.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.179 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 48.6 41.47 17.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 28' ' ' TRP . 7.4 tp -58.93 132.16 53.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.427 ' NH1' ' HB3' ' A' ' 15' ' ' ARG . 1.1 ptp180 -121.33 166.72 13.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.959 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.802 0.334 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.407 HG12 ' HB3' ' A' ' 62' ' ' PRO . 1.3 m -134.47 156.71 40.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.128 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.446 HD11 HD11 ' A' ' 63' ' ' LEU . 20.1 mt -105.55 142.49 35.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -123.79 119.72 30.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.48 ' CE3' HG11 ' A' ' 76' ' ' VAL . 1.9 p90 -129.25 153.95 47.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -91.2 120.53 68.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.535 0.684 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.84 119.92 6.78 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.62 2.213 . . . . 0.0 112.384 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 32' ' ' GLN . 54.6 Cg_endo -69.69 154.89 67.47 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.687 2.258 . . . . 0.0 112.325 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 31' ' ' PRO . 55.3 tt0 -35.04 -40.92 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.518 ' ND2' HH11 ' A' ' 80' ' ' ARG . 1.0 OUTLIER -106.74 103.68 47.96 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.57 0.7 . . . . 0.0 110.882 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.442 ' HD2' ' HA ' ' A' ' 33' ' ' ASN . 54.7 Cg_endo -69.71 121.19 7.89 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.732 2.288 . . . . 0.0 112.366 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.597 HG12 ' HG3' ' A' ' 80' ' ' ARG . 23.5 m -61.42 -175.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.128 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -96.11 -48.09 5.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.422 ' HB ' ' CD ' ' A' ' 53' ' ' GLU . 4.0 p -141.2 136.74 32.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.548 ' HB2' HG23 ' A' ' 54' ' ' THR . 64.3 m-85 -97.68 126.85 43.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -98.37 106.21 18.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.685 HG13 HG13 ' A' ' 76' ' ' VAL . 5.3 mp -106.6 139.37 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.115 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -131.08 120.51 23.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.686 HG21 HD22 ' A' ' 63' ' ' LEU . 93.2 t -108.84 133.24 54.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 76.1 p -145.11 166.94 23.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.173 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.831 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -161.01 162.67 22.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.534 0.683 . . . . 0.0 111.184 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.658 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.7 Cg_endo -69.79 86.66 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.717 2.278 . . . . 0.0 112.27 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 112.85 -33.62 5.52 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.537 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.831 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -71.62 152.38 93.65 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.599 0.714 . . . . 0.0 111.106 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 150.18 67.88 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.618 2.212 . . . . 0.0 112.312 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 145.99 58.6 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.347 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.3 tp -128.65 132.12 48.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -123.78 123.36 40.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.625 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -135.87 168.87 18.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.422 ' CD ' ' HB ' ' A' ' 37' ' ' THR . 1.2 tm-20 -150.06 153.37 36.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.548 HG23 ' HB2' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -150.41 146.22 19.58 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.635 0.731 . . . . 0.0 111.097 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 147.77 63.42 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.643 2.229 . . . . 0.0 112.302 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -52.44 -15.93 3.2 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.449 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.4 p -72.79 0.9 9.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.915 0.388 . . . . 0.0 110.837 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -115.37 146.12 41.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.065 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.8 m -121.82 20.21 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.065 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -170.15 142.05 2.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.625 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 29.3 t80 -133.57 99.49 14.24 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.63 0.729 . . . . 0.0 110.949 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.444 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 53.8 Cg_endo -69.73 107.93 1.96 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.686 HD22 HG21 ' A' ' 42' ' ' VAL . 5.0 mt -81.66 131.43 35.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.444 ' CD2' ' O ' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -116.25 170.65 8.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.869 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.9 t70 68.05 52.81 0.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.803 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.581 ' HB3' HG21 ' A' ' 94' ' ' THR . 75.6 mt -116.62 128.41 55.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 72.7 t -65.41 130.76 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.76 HD22 ' H ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -70.64 174.69 5.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 13.0 m170 44.52 32.92 0.81 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 78.6 m -145.39 142.81 29.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.078 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -85.46 127.3 34.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -114.59 125.79 54.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.9 m -96.71 126.35 41.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.162 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -115.54 145.99 42.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.9 m -133.7 106.02 7.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.685 HG13 HG13 ' A' ' 40' ' ' ILE . 15.8 t -93.26 144.8 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.159 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 33.3 mtm-85 -140.27 172.5 12.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.496 ' O ' HD23 ' A' ' 84' ' ' LEU . . . -125.26 129.79 7.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -98.08 101.73 13.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.361 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.597 ' HG3' HG12 ' A' ' 35' ' ' VAL . 23.4 mtp180 -121.43 95.1 4.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 63.33 -152.11 47.63 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 3.45 2.81 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.27 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -121.27 173.92 7.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.496 HD23 ' O ' ' A' ' 78' ' ' GLY . 9.8 mt -128.57 161.57 29.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.417 ' HB ' ' N ' ' A' ' 10' ' ' GLY . 27.8 p -99.6 177.83 5.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.202 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 73.9 m -70.09 129.83 90.34 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.612 0.72 . . . . 0.0 110.802 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 159.58 52.87 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.692 2.261 . . . . 0.0 112.327 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -147.12 115.44 6.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.136 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 74' ' ' ALA . 4.1 t -122.47 166.22 15.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 20.6 tt -158.36 159.89 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.5 m -107.0 123.06 47.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.112 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 92' ' ' PHE . 8.7 p90 -142.6 149.13 38.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.3 m -97.78 147.04 24.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.177 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.581 HG21 ' HB3' ' A' ' 66' ' ' LEU . 3.2 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.521 ' HB2' HG22 ' A' ' 85' ' ' THR . 1.8 m-20 . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.829 0.347 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.9 -179.62 17.27 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.541 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.447 ' HG3' HG12 ' A' ' 76' ' ' VAL . 54.3 Cg_endo -69.72 138.3 37.62 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.256 . . . . 0.0 112.334 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.8 p -141.98 177.46 8.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 52.6 45.22 29.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.507 HD23 ' CG2' ' A' ' 90' ' ' ILE . 5.3 tp -67.24 131.03 44.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.402 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 68.6 ttt180 -128.25 157.14 41.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.402 ' N ' ' HG2' ' A' ' 15' ' ' ARG . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.844 0.354 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -130.03 157.16 42.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.5 mt -92.08 154.37 18.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -136.04 118.91 16.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.768 ' CE3' HG11 ' A' ' 76' ' ' VAL . 1.9 p90 -129.26 153.89 47.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -92.97 123.96 59.71 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.533 0.682 . . . . 0.0 110.971 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 127.98 15.39 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.87 173.84 10.49 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.712 2.275 . . . . 0.0 112.302 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -50.42 -42.25 53.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -108.69 127.58 27.14 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.632 0.73 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 131.09 20.49 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.758 2.305 . . . . 0.0 112.358 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.739 HG21 ' CE1' ' A' ' 38' ' ' TYR . 8.2 m -78.88 -178.07 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -91.17 -60.07 1.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.2 p -140.5 143.14 35.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.739 ' CE1' HG21 ' A' ' 35' ' ' VAL . 79.6 m-85 -99.16 127.28 45.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -95.49 105.14 17.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.679 HD13 ' HB3' ' A' ' 61' ' ' TYR . 17.2 mt -106.82 122.41 60.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.05 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.456 ' NE2' ' HB ' ' A' ' 75' ' ' THR . 0.2 OUTLIER -112.63 120.64 42.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.986 HG21 HD22 ' A' ' 63' ' ' LEU . 60.3 t -113.54 116.52 52.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.036 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.4 p -142.46 171.36 14.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.186 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.547 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -172.06 159.44 4.41 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.599 0.714 . . . . 0.0 111.11 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.547 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.6 Cg_endo -69.79 102.95 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.63 -25.64 23.74 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.408 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.487 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -91.64 151.87 42.81 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.607 0.718 . . . . 0.0 111.062 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 146.76 60.68 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.701 2.268 . . . . 0.0 112.335 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 146.72 61.16 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.775 2.317 . . . . 0.0 112.31 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.9 tp -135.18 128.6 32.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -123.11 128.59 50.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.52 168.88 18.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -150.14 153.63 36.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.487 HG23 ' HB2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -149.75 151.19 32.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.598 0.713 . . . . 0.0 111.194 -179.911 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 148.09 64.61 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.638 2.225 . . . . 0.0 112.365 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.541 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -49.78 -33.01 18.79 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 91.0 p -52.29 -16.96 0.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.839 0.352 . . . . 0.0 110.841 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -92.79 154.66 18.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.064 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.3 m -125.16 9.78 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.048 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -171.06 155.42 4.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.679 ' HB3' HD13 ' A' ' 40' ' ' ILE . 29.0 t80 -139.86 114.37 7.83 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.692 0.758 . . . . 0.0 110.881 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 150.3 67.99 Favored 'Trans proline' 0 N--CA 1.465 -0.192 0 C-N-CA 122.714 2.276 . . . . 0.0 112.367 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.986 HD22 HG21 ' A' ' 42' ' ' VAL . 9.8 mt -131.52 133.28 44.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.535 ' C ' HD12 ' A' ' 66' ' ' LEU . 8.2 p80 -129.17 175.54 8.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 t70 72.47 30.44 1.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.576 HD23 ' CG ' ' A' ' 72' ' ' TYR . 5.9 mp -100.8 141.35 33.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.0 t -75.4 120.41 25.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.597 HD13 ' O ' ' A' ' 94' ' ' THR . 0.5 OUTLIER -40.99 -74.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -73.16 68.35 0.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.5 m -166.14 129.17 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -83.42 117.19 22.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.576 ' CG ' HD23 ' A' ' 66' ' ' LEU . 61.7 m-85 -105.81 122.59 46.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.4 m -94.8 122.2 37.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.068 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -105.29 148.37 27.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.456 ' HB ' ' NE2' ' A' ' 41' ' ' GLN . 2.7 m -132.79 103.19 5.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.768 HG11 ' CE3' ' A' ' 28' ' ' TRP . 10.6 t -93.64 137.09 23.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.6 mtt180 -138.48 169.37 17.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.815 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.492 ' O ' HG23 ' A' ' 85' ' ' THR . . . -122.05 117.4 3.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.414 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -85.33 103.77 14.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.361 . . . . 0.0 110.828 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.711 ' HG3' HG12 ' A' ' 35' ' ' VAL . 22.7 mtp180 -122.07 97.27 5.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 59.97 -152.07 36.85 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.465 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 3.77 2.58 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.728 2.285 . . . . 0.0 112.304 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -118.32 175.94 5.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.3 mt -128.91 162.47 27.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.521 HG22 ' HB2' ' A' ' 9' ' ' ASP . 31.4 p -103.37 173.88 6.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 91.9 p -67.46 121.06 77.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.56 0.695 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 150.89 69.23 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.713 2.276 . . . . 0.0 112.399 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.27 115.78 14.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.08 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 27.2 t -115.25 156.53 25.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.507 ' CG2' HD23 ' A' ' 14' ' ' LEU . 21.5 tt -152.01 153.44 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.8 m -107.85 112.34 24.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -131.23 129.45 41.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.5 m -85.06 143.91 28.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.107 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.597 ' O ' HD13 ' A' ' 68' ' ' LEU . 8.4 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.438 ' OD2' ' NH1' ' A' ' 80' ' ' ARG . 31.5 t70 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.792 0.33 . . . . 0.0 110.807 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -131.26 -165.36 11.43 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.513 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 128.57 16.23 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.754 2.303 . . . . 0.0 112.335 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.8 p -135.33 171.61 14.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 62.9 33.19 15.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.622 HD23 ' HB ' ' A' ' 90' ' ' ILE . 7.5 tp -58.79 115.53 3.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.5 ttt85 -127.73 159.91 33.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.881 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.638 ' HB3' ' HE2' ' A' ' 92' ' ' PHE . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.807 0.337 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.519 HG12 ' HA ' ' A' ' 62' ' ' PRO . 1.3 m -135.33 164.11 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.447 HD22 HD21 ' A' ' 14' ' ' LEU . 41.1 mt -103.38 129.08 50.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.524 ' O ' HD12 ' A' ' 14' ' ' LEU . 2.9 t-80 -113.77 118.73 35.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.613 ' CZ2' ' CD2' ' A' ' 38' ' ' TYR . 1.6 p90 -129.46 154.22 47.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.5 mttm -95.44 126.77 44.53 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.637 0.732 . . . . 0.0 110.838 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.74 124.23 10.89 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.693 2.262 . . . . 0.0 112.304 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.457 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.6 Cg_endo -69.81 167.15 25.33 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.64 2.227 . . . . 0.0 112.304 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 31' ' ' PRO . 37.2 tp60 -34.09 -45.61 0.21 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.54 122.55 30.74 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.644 0.735 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 115.29 4.02 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.671 2.247 . . . . 0.0 112.289 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.846 HG12 ' HG2' ' A' ' 80' ' ' ARG . 18.8 m -56.49 178.05 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.73 -56.83 3.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 p -141.23 151.99 44.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.083 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.613 ' CD2' ' CZ2' ' A' ' 28' ' ' TRP . 66.6 m-85 -107.38 131.5 54.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -96.95 108.85 21.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mp -105.88 132.89 51.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.184 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -129.91 117.41 20.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.796 HG21 HD22 ' A' ' 63' ' ' LEU . 24.9 t -110.02 132.32 58.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 46.0 p -145.36 171.91 13.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.837 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -169.35 156.3 6.5 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.564 0.697 . . . . 0.0 111.086 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.427 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 54.1 Cg_endo -69.73 84.4 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.713 2.275 . . . . 0.0 112.342 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 119.12 -26.33 7.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.525 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.837 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -83.12 152.51 65.28 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.538 0.685 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 148.23 64.16 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.666 2.244 . . . . 0.0 112.266 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 146.04 58.84 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 51' ' ' GLN . 3.6 tp -132.81 131.18 40.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.519 ' N ' HD12 ' A' ' 50' ' ' LEU . 39.9 tt0 -125.86 142.36 51.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.448 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -161.35 167.68 25.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -144.32 154.48 43.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.46 HG23 ' HB2' ' A' ' 38' ' ' TYR . 0.6 OUTLIER -147.48 146.76 25.86 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.548 0.69 . . . . 0.0 111.196 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 147.41 62.08 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.64 2.226 . . . . 0.0 112.315 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 58' ' ' ALA . . . -47.19 -42.26 16.79 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.446 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.4 m -42.54 -24.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 0.0 110.779 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 56' ' ' GLY . . . -90.32 148.22 23.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.4 m -125.09 17.91 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.151 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -169.49 148.14 3.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.448 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 31.9 t80 -134.64 103.18 11.2 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.712 0.768 . . . . 0.0 110.893 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.519 ' HA ' HG12 ' A' ' 25' ' ' VAL . 53.1 Cg_endo -69.79 117.43 5.08 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.339 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.796 HD22 HG21 ' A' ' 42' ' ' VAL . 5.9 mt -93.63 127.67 39.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -118.16 170.96 8.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.846 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.4 t70 66.36 48.52 1.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.8 mt -115.97 146.27 42.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 88.8 t -77.71 119.69 26.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.1 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.713 ' N ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -63.22 161.03 14.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.968 179.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 9.5 m170 54.96 40.63 32.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 74.7 m -140.94 143.52 34.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 62.0 t-20 -86.25 108.45 18.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.95 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.625 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 33.4 m-85 -107.83 132.89 52.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.041 0.448 . . . . 0.0 110.898 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 33.0 m -106.67 120.59 42.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.415 ' HB3' HD21 ' A' ' 26' ' ' LEU . . . -112.0 150.66 30.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.126 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.7 m -134.91 119.71 18.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.18 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.557 HG11 ' CE3' ' A' ' 28' ' ' TRP . 39.8 t -109.69 135.51 48.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.9 mtt180 -130.4 159.96 35.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -108.24 126.19 8.15 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.413 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -92.82 99.91 12.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.846 ' HG2' HG12 ' A' ' 35' ' ' VAL . 43.7 mmm-85 -116.63 95.0 4.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.32 -151.35 50.29 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.524 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 3.62 2.65 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.7 2.267 . . . . 0.0 112.302 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -122.39 176.07 6.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.1 mt -128.07 164.03 23.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 42.9 p -102.08 178.04 4.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.5 p -67.01 130.33 93.9 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.642 0.734 . . . . 0.0 110.939 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 146.44 60.46 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.634 2.223 . . . . 0.0 112.368 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.25 115.53 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.7 t -117.94 158.83 24.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.78 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.622 ' HB ' HD23 ' A' ' 14' ' ' LEU . 14.6 tt -145.45 157.11 13.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.139 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.462 ' N ' HG12 ' A' ' 90' ' ' ILE . 9.2 m -112.08 110.4 20.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.108 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.638 ' HE2' ' HB3' ' A' ' 24' ' ' ALA . 4.0 p90 -126.48 143.65 51.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.4 m -101.5 123.51 45.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.187 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 69.9 p . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.179 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.83 0.348 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -109.77 -156.65 16.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.455 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.439 ' HG3' HG12 ' A' ' 76' ' ' VAL . 54.2 Cg_endo -69.74 127.25 14.34 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.619 2.213 . . . . 0.0 112.387 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -133.82 162.1 32.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 67.81 35.06 4.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.433 ' CD1' ' HB3' ' A' ' 28' ' ' TRP . 6.3 tp -59.16 123.37 16.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.2 ttm-85 -131.21 159.53 37.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.901 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.792 0.329 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -133.87 163.65 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.587 HD21 ' HB3' ' A' ' 74' ' ' ALA . 13.0 mt -105.42 147.44 28.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -127.71 118.78 24.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.76 ' CE3' HG11 ' A' ' 76' ' ' VAL . 1.7 p90 -129.28 152.83 48.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -94.37 123.03 59.86 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.57 0.7 . . . . 0.0 110.903 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 121.44 8.11 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.635 2.223 . . . . 0.0 112.311 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.0 Cg_endo -69.8 162.27 42.73 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 31' ' ' PRO . 35.2 tt0 -34.61 -54.86 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -96.24 120.58 62.33 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.667 0.746 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 114.09 3.59 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.676 2.251 . . . . 0.0 112.311 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.711 HG21 ' CE1' ' A' ' 38' ' ' TYR . 16.2 m -57.45 179.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -90.78 -55.3 3.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.887 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.87 154.81 46.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.104 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.711 ' CE1' HG21 ' A' ' 35' ' ' VAL . 65.5 m-85 -111.5 126.96 55.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -95.12 103.56 15.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mp -102.75 136.79 33.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.086 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -137.8 120.71 16.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.0 t -106.7 132.88 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.141 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 65.5 p -147.13 165.4 30.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.593 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -168.71 156.99 7.58 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.562 0.696 . . . . 0.0 111.15 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 54.3 Cg_endo -69.7 101.45 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.697 2.265 . . . . 0.0 112.358 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.6 19.32 35.23 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.418 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.593 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -127.22 153.58 76.89 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.568 0.699 . . . . 0.0 111.116 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.87 142.75 48.27 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.599 2.199 . . . . 0.0 112.289 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 146.34 59.56 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 51' ' ' GLN . 3.7 tp -135.14 129.29 33.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.522 ' N ' HD12 ' A' ' 50' ' ' LEU . 6.6 tm0? -126.69 148.95 49.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.94 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.715 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -168.42 157.61 9.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -132.48 154.25 50.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.566 HG23 ' HB2' ' A' ' 38' ' ' TYR . 0.8 OUTLIER -147.43 146.3 24.51 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.675 0.75 . . . . 0.0 111.123 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 143.91 52.33 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.671 2.247 . . . . 0.0 112.301 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.507 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -44.09 -44.35 7.45 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.452 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.3 m -37.88 -33.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.907 0.384 . . . . 0.0 110.86 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.67 146.43 29.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.0 m -119.72 16.99 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -170.18 147.62 3.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.715 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 38.3 t80 -133.68 99.94 13.83 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.685 0.755 . . . . 0.0 110.909 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 61' ' ' TYR . 54.2 Cg_endo -69.7 127.52 14.76 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.703 2.268 . . . . 0.0 112.363 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.515 ' HB2' HD11 ' A' ' 66' ' ' LEU . 1.6 mt -107.33 136.07 47.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.966 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -117.54 179.47 4.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.5 t0 58.43 49.5 10.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.515 HD11 ' HB2' ' A' ' 63' ' ' LEU . 32.1 mt -113.27 120.52 41.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.017 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.2 t -56.41 135.44 19.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.154 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.772 HD22 ' H ' ' A' ' 68' ' ' LEU . 0.4 OUTLIER -79.69 163.18 24.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 54.21 40.7 31.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.826 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.2 m -146.3 138.73 25.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.457 ' ND2' HG23 ' A' ' 91' ' ' THR . 0.7 OUTLIER -77.54 121.1 23.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.465 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 10.7 m-85 -118.3 126.17 51.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.4 m -100.46 119.03 37.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.186 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.587 ' HB3' HD21 ' A' ' 26' ' ' LEU . . . -106.18 139.76 40.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.045 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 33.2 m -125.9 115.79 20.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.76 HG11 ' CE3' ' A' ' 28' ' ' TRP . 46.2 t -108.78 122.27 63.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.417 ' NE ' ' HB3' ' A' ' 87' ' ' PRO . 14.3 mtt85 -118.91 158.05 26.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.469 ' O ' HG23 ' A' ' 85' ' ' THR . . . -115.58 127.61 7.67 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.573 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.477 ' CD2' ' N ' ' A' ' 79' ' ' LEU . 0.6 OUTLIER -91.38 107.75 19.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.823 0.344 . . . . 0.0 110.874 -179.834 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.7 ' HG2' HG12 ' A' ' 35' ' ' VAL . 30.5 mmm-85 -121.98 96.12 4.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 58.15 -150.86 32.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.512 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 3.68 2.63 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.685 2.257 . . . . 0.0 112.397 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -120.07 169.2 10.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.414 HD21 HD13 ' A' ' 79' ' ' LEU . 12.8 mt -128.45 155.49 44.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 78' ' ' GLY . 1.4 p -97.99 174.01 6.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.9 m -66.87 132.68 93.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 0.0 110.89 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.417 ' HB3' ' NE ' ' A' ' 77' ' ' ARG . 53.7 Cg_endo -69.74 136.97 34.42 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.732 2.288 . . . . 0.0 112.359 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -102.84 114.53 28.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.081 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.4 p -116.57 153.31 32.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.792 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.456 HG12 ' N ' ' A' ' 91' ' ' THR . 15.8 tt -162.13 160.67 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.111 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.457 HG23 ' ND2' ' A' ' 71' ' ' ASN . 6.5 m -119.26 113.44 20.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -132.07 135.61 46.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.1 m -83.68 133.54 34.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.092 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 80' ' ' ARG . 28.2 m-20 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.61 -162.79 26.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.452 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.636 ' HG3' HG12 ' A' ' 76' ' ' VAL . 53.6 Cg_endo -69.74 132.64 23.8 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.706 2.271 . . . . 0.0 112.35 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.6 p -131.78 177.82 7.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.108 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 52.8 33.14 13.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.483 HD23 ' HB ' ' A' ' 90' ' ' ILE . 5.0 tp -60.86 121.75 13.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 19.5 ttm105 -133.43 166.57 22.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.415 ' N ' ' HG2' ' A' ' 15' ' ' ARG . . . . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.598 ' HB3' ' HE2' ' A' ' 92' ' ' PHE . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.839 0.352 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.409 HG12 ' HA ' ' A' ' 62' ' ' PRO . 1.8 m -121.03 156.84 24.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.116 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.0 mt -95.06 143.99 26.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -128.23 118.86 24.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.57 ' CE3' HG11 ' A' ' 76' ' ' VAL . 1.8 p90 -129.22 153.36 47.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.951 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -94.19 127.61 44.05 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.568 0.699 . . . . 0.0 110.959 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.429 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 53.4 Cg_endo -69.85 115.54 4.15 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.23 . . . . 0.0 112.292 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.9 Cg_endo -69.79 149.32 66.51 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.624 2.216 . . . . 0.0 112.343 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 31' ' ' PRO . 19.0 tt0 -34.24 -46.57 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.92 109.93 28.59 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.671 0.748 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.64 122.68 9.39 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.725 2.283 . . . . 0.0 112.344 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.753 HG21 ' CE1' ' A' ' 38' ' ' TYR . 30.3 m -80.46 -176.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -97.7 -56.84 2.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.0 p -141.87 144.93 34.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.753 ' CE1' HG21 ' A' ' 35' ' ' VAL . 70.2 m-85 -101.37 129.82 47.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.96 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -95.58 115.03 26.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.586 HG12 HG22 ' A' ' 76' ' ' VAL . 19.8 mt -116.02 123.17 70.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -124.36 110.4 14.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.946 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.607 HG21 HD13 ' A' ' 63' ' ' LEU . 30.3 t -92.77 126.47 45.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.177 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.3 p -141.1 166.38 24.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.197 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.611 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -164.51 151.78 10.1 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.543 0.687 . . . . 0.0 111.094 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.61 81.26 0.79 Allowed 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.705 2.27 . . . . 0.0 112.402 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 123.52 7.34 6.92 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.496 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.611 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -127.2 152.06 75.41 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.529 0.681 . . . . 0.0 111.109 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 149.28 67.02 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.704 2.269 . . . . 0.0 112.304 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 150.47 68.25 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.731 2.287 . . . . 0.0 112.386 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.7 tp -132.97 129.0 37.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -95.31 151.75 18.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.483 ' HB1' ' CE1' ' A' ' 61' ' ' TYR . . . -167.49 133.97 2.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.172 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -139.54 151.56 46.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.422 ' OG1' ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -153.7 148.38 19.55 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.56 0.695 . . . . 0.0 111.15 -179.892 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 147.65 63.47 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.728 2.285 . . . . 0.0 112.295 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.547 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -43.32 -43.7 6.02 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.524 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.5 t -39.53 -34.68 0.24 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.847 0.356 . . . . 0.0 110.822 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.422 ' HB3' ' OG1' ' A' ' 54' ' ' THR . . . -81.98 153.22 26.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.058 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.1 m -125.14 12.98 4.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -170.7 154.99 4.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.483 ' CE1' ' HB1' ' A' ' 52' ' ' ALA . 35.6 t80 -138.45 104.94 7.73 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.611 0.72 . . . . 0.0 110.992 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 61' ' ' TYR . 53.7 Cg_endo -69.68 115.69 4.2 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.646 2.231 . . . . 0.0 112.428 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.607 HD13 HG21 ' A' ' 42' ' ' VAL . 8.4 mt -96.7 130.36 43.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.936 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -115.61 177.99 4.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 59.08 46.91 12.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 97.6 mt -110.71 128.71 55.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.1 t -59.04 132.18 23.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.068 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.484 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -71.89 175.84 5.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 68' ' ' LEU . 38.3 m-70 36.49 51.84 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.3 m -153.23 125.99 8.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.25 104.73 6.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.497 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 13.3 m-85 -97.59 125.84 42.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.3 m -94.48 119.77 33.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.168 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -109.76 148.31 31.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.07 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.9 m -131.65 111.8 12.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.217 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.636 HG12 ' HG3' ' A' ' 11' ' ' PRO . 42.2 t -101.98 121.91 53.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -114.29 178.61 4.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.619 ' O ' HD23 ' A' ' 84' ' ' LEU . . . -128.73 123.65 4.36 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.516 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -92.72 98.86 11.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.666 ' HD3' HG12 ' A' ' 35' ' ' VAL . 28.1 mtm180 -121.23 96.12 4.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 63.45 -152.23 47.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 3.5 2.76 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.748 2.299 . . . . 0.0 112.305 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -122.9 174.51 7.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 78' ' ' GLY . 4.7 mt -128.66 156.55 43.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.2 p -92.26 177.27 6.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.176 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 61.4 m -69.02 129.33 92.27 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.627 0.727 . . . . 0.0 110.836 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 147.0 62.29 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.639 2.226 . . . . 0.0 112.385 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.94 115.53 13.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.1 t -116.62 167.94 10.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.483 ' HB ' HD23 ' A' ' 14' ' ' LEU . 15.6 tt -159.01 158.36 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.193 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.472 ' N ' HG12 ' A' ' 90' ' ' ILE . 2.7 m -111.89 110.89 21.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.598 ' HE2' ' HB3' ' A' ' 24' ' ' ALA . 31.1 p90 -130.19 138.67 50.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 43.6 m -89.75 132.54 35.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.217 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.124 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.42 ' HB3' ' NH1' ' A' ' 80' ' ' ARG . 3.7 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.823 0.344 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -119.5 -174.27 15.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.472 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 137.13 34.69 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.698 2.265 . . . . 0.0 112.371 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 39.5 p -140.67 176.27 8.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.121 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 49.96 39.65 19.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.487 ' CD1' ' HB3' ' A' ' 28' ' ' TRP . 8.1 tp -58.91 127.32 31.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -123.39 178.07 5.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 179.895 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.877 0.37 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.4 ' CG1' ' HB3' ' A' ' 62' ' ' PRO . 1.9 m -131.1 165.03 32.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.45 HD11 HD11 ' A' ' 63' ' ' LEU . 13.7 mt -109.94 146.93 34.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -129.03 120.76 26.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.751 ' CE3' HG11 ' A' ' 76' ' ' VAL . 2.0 p90 -129.31 153.28 47.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -91.71 125.98 55.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 125.87 12.61 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.659 2.239 . . . . 0.0 112.398 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.9 Cg_endo -69.81 163.68 37.4 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.629 2.219 . . . . 0.0 112.365 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 31' ' ' PRO . 43.9 tt0 -34.5 -50.71 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.811 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -110.62 128.15 25.8 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.69 0.757 . . . . 0.0 110.837 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 151.34 69.02 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.712 2.275 . . . . 0.0 112.314 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.756 HG12 ' HG2' ' A' ' 80' ' ' ARG . 19.1 m -96.62 -177.78 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.96 -51.5 5.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.4 p -142.07 136.9 30.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.152 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.856 ' HB2' HG23 ' A' ' 54' ' ' THR . 94.1 m-85 -96.71 127.23 42.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -95.73 114.54 26.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.611 HG13 HG13 ' A' ' 76' ' ' VAL . 5.2 mp -117.2 136.71 53.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.232 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -132.36 127.86 36.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.865 HG21 HD13 ' A' ' 63' ' ' LEU . 90.4 t -117.78 139.07 46.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.096 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.8 p -144.55 166.48 25.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.501 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -166.84 153.68 8.3 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.634 0.731 . . . . 0.0 111.025 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 110.36 2.55 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.664 2.242 . . . . 0.0 112.362 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.52 9.67 62.76 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.516 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.501 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -125.69 151.91 71.4 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.534 0.683 . . . . 0.0 111.109 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.71 148.12 64.72 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.377 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 136.75 33.61 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.65 2.233 . . . . 0.0 112.349 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 tp -116.5 128.56 55.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -128.98 129.14 45.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.666 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -145.09 172.64 12.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -142.45 157.22 45.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.856 HG23 ' HB2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -144.77 150.44 46.6 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.61 0.719 . . . . 0.0 111.134 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 152.97 69.63 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.63 2.22 . . . . 0.0 112.38 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.7 -16.69 46.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.2 p -81.41 15.28 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 110.86 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.66 143.07 49.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.117 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.5 m -118.89 18.61 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -169.8 147.62 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.666 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 15.9 t80 -133.83 96.5 16.32 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.7 0.762 . . . . 0.0 110.92 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.4 ' HB3' ' CG1' ' A' ' 25' ' ' VAL . 54.1 Cg_endo -69.71 112.3 3.03 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.657 2.238 . . . . 0.0 112.307 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.865 HD13 HG21 ' A' ' 42' ' ' VAL . 4.3 mt -96.31 133.22 40.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -118.11 173.02 7.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.805 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.9 t0 68.08 48.6 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.422 ' HB3' HG21 ' A' ' 94' ' ' THR . 90.8 mt -111.38 121.02 44.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.4 t -53.53 131.63 15.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.793 HD22 ' H ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -78.03 155.19 30.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.959 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 63.3 43.76 5.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.6 m -154.53 133.17 12.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -74.12 118.5 17.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.412 ' CD2' ' HB2' ' A' ' 44' ' ' ALA . 9.3 m-85 -114.11 116.89 29.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 57.7 m -91.19 119.96 31.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.413 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -108.22 138.03 45.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.9 m -123.2 111.94 17.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.214 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.751 HG11 ' CE3' ' A' ' 28' ' ' TRP . 21.4 t -99.89 142.75 14.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.149 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -139.65 179.39 6.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.956 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -134.21 129.43 5.24 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.446 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -93.03 104.72 16.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.749 0.309 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.756 ' HG2' HG12 ' A' ' 35' ' ' VAL . 22.0 mmm-85 -121.72 94.98 4.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.65 -152.82 50.03 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 3.49 2.74 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.742 2.294 . . . . 0.0 112.282 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -121.55 176.02 5.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.2 mt -122.29 165.99 15.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 70.4 p -103.66 177.06 4.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 31.2 p -69.76 127.38 92.6 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.719 0.771 . . . . 0.0 110.765 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 154.85 67.33 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.635 2.223 . . . . 0.0 112.341 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -147.32 115.59 6.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 74' ' ' ALA . 12.3 t -122.91 165.96 15.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 20.2 tt -155.34 157.49 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 7.4 m -106.19 120.95 43.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.097 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 22.2 p90 -143.47 133.3 23.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 35.0 m -83.17 142.2 31.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.422 HG21 ' HB3' ' A' ' 66' ' ' LEU . 8.9 p . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.826 0.346 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -124.36 -171.53 13.43 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.534 ' HG3' HG12 ' A' ' 76' ' ' VAL . 53.4 Cg_endo -69.77 128.86 16.62 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.63 2.22 . . . . 0.0 112.269 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.2 p -132.34 173.87 10.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.191 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 55.67 40.64 30.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.557 HD23 ' CG2' ' A' ' 90' ' ' ILE . 6.2 tp -62.39 127.88 33.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -122.43 162.71 21.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.051 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.475 ' HB3' ' CE1' ' A' ' 92' ' ' PHE . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.821 0.343 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -124.77 146.14 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.507 ' CD1' HD11 ' A' ' 63' ' ' LEU . 13.1 mt -91.32 111.8 23.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.021 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -102.62 118.9 37.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.574 ' CE3' HG11 ' A' ' 76' ' ' VAL . 1.9 p90 -129.42 153.99 47.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.1 tttt -88.05 122.51 69.93 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.6 0.714 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 118.82 5.91 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.623 2.215 . . . . 0.0 112.347 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 162.54 41.7 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.637 2.225 . . . . 0.0 112.368 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -47.61 -46.59 28.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.804 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -86.01 114.8 59.04 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.629 0.728 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 117.63 5.21 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.646 2.231 . . . . 0.0 112.359 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.594 ' CG2' ' CZ ' ' A' ' 38' ' ' TYR . 9.9 m -71.68 -176.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.045 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 56' ' ' GLY . 1.0 OUTLIER -103.45 -55.49 2.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.903 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 p -139.75 134.82 32.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.834 ' HB2' HG23 ' A' ' 54' ' ' THR . 82.1 m-85 -93.59 126.84 38.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -94.89 124.14 38.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.1 mp -123.75 139.17 51.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -133.29 114.14 13.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.471 ' HB ' ' CB ' ' A' ' 50' ' ' LEU . 1.2 t -113.92 107.18 22.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.114 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.9 p -128.62 155.58 44.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.664 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -151.19 162.69 26.06 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.513 0.673 . . . . 0.0 111.131 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.664 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.7 Cg_endo -69.73 95.02 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.613 2.208 . . . . 0.0 112.391 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 114.17 -36.2 4.11 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.452 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.466 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -77.44 157.04 80.79 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.638 0.732 . . . . 0.0 111.071 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.5 Cg_endo -69.67 158.68 56.24 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.722 2.281 . . . . 0.0 112.346 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 134.43 27.88 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.676 2.251 . . . . 0.0 112.335 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.504 ' CD1' ' C ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -102.71 117.89 35.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.487 ' N ' HD13 ' A' ' 50' ' ' LEU . 10.4 tt0 -126.04 119.68 28.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -157.49 160.23 38.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.068 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -136.83 162.4 33.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.834 HG23 ' HB2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -146.97 151.44 41.59 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.578 0.704 . . . . 0.0 111.126 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.6 155.44 66.44 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.724 2.282 . . . . 0.0 112.378 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 36' ' ' ASP . . . -61.37 -17.33 52.69 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.513 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.2 t -84.44 28.94 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.938 0.399 . . . . 0.0 110.872 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.44 132.78 41.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.174 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.7 m -116.11 22.74 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -171.17 131.24 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.41 ' HA ' ' HD2' ' A' ' 62' ' ' PRO . 14.3 t80 -127.52 96.4 33.2 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.689 0.757 . . . . 0.0 110.925 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 61' ' ' TYR . 54.2 Cg_endo -69.71 113.26 3.31 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.716 2.277 . . . . 0.0 112.322 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.507 HD11 ' CD1' ' A' ' 26' ' ' LEU . 5.0 mt -93.03 119.59 32.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -106.52 167.96 9.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.1 t70 72.9 51.15 0.15 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.836 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 97.1 mt -114.37 122.53 46.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.4 t -55.95 130.01 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.168 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -72.93 163.22 28.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 51.21 53.16 13.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.2 m -156.94 142.22 17.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.095 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -84.49 111.28 19.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -105.45 130.74 53.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.5 m -103.87 119.53 39.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.181 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -111.14 147.97 33.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 61.0 m -135.81 111.25 9.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.574 HG11 ' CE3' ' A' ' 28' ' ' TRP . 48.9 t -96.18 137.39 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.1 mtt180 -136.41 166.48 23.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -121.1 125.52 6.22 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -91.68 104.8 17.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.789 0.328 . . . . 0.0 110.843 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.56 ' HG3' HG12 ' A' ' 35' ' ' VAL . 44.7 mtp180 -122.07 94.54 4.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.53 -152.9 49.67 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.44 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 3.69 2.62 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.648 2.232 . . . . 0.0 112.38 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -119.56 175.88 5.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.4 mt -124.72 163.12 22.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 60.3 p -102.97 177.55 4.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.2 p -70.21 120.94 81.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.667 0.746 . . . . 0.0 110.871 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 155.15 66.44 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.663 2.242 . . . . 0.0 112.35 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -140.36 115.62 9.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.1 t -115.82 159.59 21.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.557 ' CG2' HD23 ' A' ' 14' ' ' LEU . 19.2 tt -157.04 160.58 2.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.437 ' N ' HG12 ' A' ' 90' ' ' ILE . 23.7 m -112.93 123.06 49.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.099 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.479 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 33.8 p90 -142.37 126.16 17.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.929 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 55.4 m -83.1 142.65 31.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.2 p . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.174 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.873 0.368 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.07 -166.01 17.57 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.483 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 130.61 19.71 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.743 2.295 . . . . 0.0 112.284 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.8 p -135.13 179.52 6.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.2 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 53.01 36.26 21.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.444 HD23 ' CG2' ' A' ' 90' ' ' ILE . 5.4 tp -58.11 124.84 20.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.869 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' A' ' 16' ' ' ALA . 13.4 tpp180 -117.23 150.84 38.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.446 ' N ' ' HG3' ' A' ' 15' ' ' ARG . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.702 ' HB3' HD12 ' A' ' 66' ' ' LEU . . . . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.869 0.366 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.424 HG12 ' HA ' ' A' ' 62' ' ' PRO . 1.4 m -135.06 164.37 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.5 mt -113.53 162.39 16.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -142.84 119.98 11.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.783 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.665 ' CZ2' ' CD2' ' A' ' 38' ' ' TYR . 2.1 p90 -129.08 153.94 47.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -92.15 122.19 65.35 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.574 0.702 . . . . 0.0 110.908 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.44 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 54.4 Cg_endo -69.69 113.97 3.54 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.644 2.229 . . . . 0.0 112.373 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 32' ' ' GLN . 54.0 Cg_endo -69.77 152.65 69.29 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.682 2.255 . . . . 0.0 112.398 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 31' ' ' PRO . 2.9 tm0? -34.5 -39.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.404 ' HA ' ' HD2' ' A' ' 34' ' ' PRO . 0.5 OUTLIER -99.56 100.91 11.76 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.609 0.719 . . . . 0.0 110.916 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 33' ' ' ASN . 53.5 Cg_endo -69.74 111.37 2.79 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.863 HG12 ' HG3' ' A' ' 80' ' ' ARG . 27.6 m -60.64 -174.97 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.077 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -94.04 -56.4 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.3 p -140.36 141.18 35.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.665 ' CD2' ' CZ2' ' A' ' 28' ' ' TRP . 64.4 m-85 -96.25 129.72 43.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -97.08 106.42 18.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.439 HG13 HG13 ' A' ' 76' ' ' VAL . 5.3 mp -105.15 136.09 40.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -129.37 113.62 15.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.43 HG21 HD13 ' A' ' 63' ' ' LEU . 53.1 t -99.65 123.11 52.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.7 p -140.4 170.18 16.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.489 ' HB2' ' CD1' ' A' ' 72' ' ' TYR . . . -174.67 151.32 1.49 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.584 0.707 . . . . 0.0 111.072 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 84.89 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.709 2.272 . . . . 0.0 112.356 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 121.01 24.07 2.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.531 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.64 153.18 54.46 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.538 0.685 . . . . 0.0 111.035 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 146.98 61.56 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.638 2.226 . . . . 0.0 112.364 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 144.97 55.5 Favored 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.657 2.238 . . . . 0.0 112.333 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.446 HD12 ' N ' ' A' ' 51' ' ' GLN . 4.7 tp -129.28 130.06 45.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.969 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.446 ' N ' HD12 ' A' ' 50' ' ' LEU . 4.2 tp60 -122.51 130.92 53.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.548 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -148.06 168.25 22.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -146.09 159.42 43.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 t -157.5 145.66 14.18 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.574 0.702 . . . . 0.0 111.164 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 147.63 63.18 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.754 2.303 . . . . 0.0 112.37 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -47.96 -39.28 18.27 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.432 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 51.6 m -43.95 -25.05 0.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.819 0.342 . . . . 0.0 110.853 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.33 137.37 32.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.087 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.7 m -114.53 22.28 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -170.17 144.55 2.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.548 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 10.5 t80 -131.5 96.51 21.11 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.693 0.759 . . . . 0.0 110.932 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.424 ' HA ' HG12 ' A' ' 25' ' ' VAL . 54.1 Cg_endo -69.69 106.26 1.62 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.72 2.28 . . . . 0.0 112.306 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.43 HD13 HG21 ' A' ' 42' ' ' VAL . 5.1 mt -89.25 131.94 35.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -116.64 171.18 8.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.9 t70 68.97 51.77 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.702 HD12 ' HB3' ' A' ' 24' ' ' ALA . 73.2 mt -115.31 127.98 55.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.5 t -60.64 134.08 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.767 HD22 ' H ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -81.33 152.71 27.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.5 m170 66.06 41.86 3.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 54.2 m -150.94 127.24 10.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -69.99 110.19 4.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.489 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 15.4 m-85 -104.92 130.78 53.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.4 m -102.24 119.69 39.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.206 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -109.21 138.66 45.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.062 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 38.5 m -127.48 119.69 26.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.521 HG11 ' CE3' ' A' ' 28' ' ' TRP . 21.3 t -106.46 136.28 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 38.1 mtm-85 -128.34 171.09 12.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -123.96 124.06 5.39 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.436 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -89.39 102.65 15.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.787 0.327 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.863 ' HG3' HG12 ' A' ' 35' ' ' VAL . 37.1 mtp180 -121.66 96.79 5.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 61.16 -151.92 41.49 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.462 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 3.58 2.69 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.699 2.266 . . . . 0.0 112.357 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -120.73 176.36 5.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.5 mt -128.78 157.94 40.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 45.6 p -93.89 177.71 5.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.14 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.4 m -71.24 127.73 91.09 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.731 0.777 . . . . 0.0 110.84 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 140.74 43.61 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.746 2.297 . . . . 0.0 112.322 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -128.74 115.76 18.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.3 t -119.43 160.16 22.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.444 ' CG2' HD23 ' A' ' 14' ' ' LEU . 21.2 tt -152.69 153.49 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.4 m -99.07 130.09 45.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.15 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.52 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 16.9 p90 -149.39 131.94 15.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.5 m -90.07 132.57 35.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 26.4 p . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.168 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 . . . . . 0 C--O 1.23 0.027 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -114.72 -167.09 15.54 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.535 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.574 ' HG3' HG12 ' A' ' 76' ' ' VAL . 54.2 Cg_endo -69.74 121.59 8.28 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.64 2.227 . . . . 0.0 112.381 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.4 p -124.26 165.12 18.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 56.6 39.98 29.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.465 HD12 ' HB3' ' A' ' 28' ' ' TRP . 9.2 tp -59.89 121.91 12.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -116.06 162.56 17.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.058 179.943 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.752 0.31 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -134.99 164.68 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.509 HD11 HD11 ' A' ' 63' ' ' LEU . 21.0 mt -107.04 132.58 52.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -119.59 119.75 34.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.822 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.465 ' HB3' HD12 ' A' ' 14' ' ' LEU . 1.8 p90 -127.19 153.53 45.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -95.38 125.95 47.86 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.598 0.713 . . . . 0.0 110.855 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.405 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 52.6 Cg_endo -69.88 119.4 6.34 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.703 2.269 . . . . 0.0 112.308 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 30' ' ' PRO . 53.8 Cg_endo -69.76 161.36 46.24 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.629 2.22 . . . . 0.0 112.337 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.6 tp60 -38.31 -55.65 1.32 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.537 ' ND2' ' CZ ' ' A' ' 80' ' ' ARG . 0.3 OUTLIER -88.39 116.86 67.49 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.616 0.722 . . . . 0.0 110.868 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 142.47 48.15 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.736 2.291 . . . . 0.0 112.332 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.666 HG12 ' HG3' ' A' ' 80' ' ' ARG . 26.4 m -94.3 -174.91 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.228 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -104.24 -53.15 2.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.7 p -142.42 134.41 27.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.133 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.621 ' CE1' HG21 ' A' ' 35' ' ' VAL . 85.5 m-85 -94.29 129.72 40.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -94.85 111.98 23.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.79 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mp -111.75 139.96 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -137.63 119.33 15.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.95 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.438 HG21 HD22 ' A' ' 63' ' ' LEU . 92.8 t -106.69 128.5 61.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.114 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.7 p -146.98 150.76 35.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.168 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.584 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -154.99 160.38 30.96 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.602 0.715 . . . . 0.0 111.124 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.584 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.6 Cg_endo -69.75 104.44 1.32 Allowed 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.744 2.296 . . . . 0.0 112.333 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.46 27.89 16.32 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.12 151.8 68.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.526 0.679 . . . . 0.0 111.138 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 144.82 55.34 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 139.23 39.64 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.678 2.252 . . . . 0.0 112.295 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.515 HD12 ' N ' ' A' ' 51' ' ' GLN . 5.2 tp -126.42 127.71 45.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.515 ' N ' HD12 ' A' ' 50' ' ' LEU . 20.2 tt0 -125.91 136.03 52.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.731 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -151.61 160.99 43.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -136.1 160.13 39.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.7 t -153.05 145.22 16.95 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.602 0.715 . . . . 0.0 111.123 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 149.28 66.5 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.637 2.225 . . . . 0.0 112.319 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.11 -13.17 3.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.54 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.4 t -77.06 8.89 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.824 0.345 . . . . 0.0 110.793 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -125.97 139.97 53.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.071 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.1 m -119.59 26.68 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -170.85 137.46 1.25 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.731 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 12.2 t80 -133.06 96.48 17.61 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.72 0.771 . . . . 0.0 110.934 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 61' ' ' TYR . 54.1 Cg_endo -69.77 124.43 11.07 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.679 2.253 . . . . 0.0 112.379 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.603 ' HB2' HD11 ' A' ' 66' ' ' LEU . 4.4 mt -98.57 134.85 40.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -120.64 179.07 4.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.7 t70 57.75 40.13 26.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.603 HD11 ' HB2' ' A' ' 63' ' ' LEU . 70.2 mt -105.28 117.75 34.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 63.2 t -53.16 134.8 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.731 HD22 ' H ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -76.03 160.39 29.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 56.77 48.74 15.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.819 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 89.7 m -152.14 130.06 11.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.193 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 35.2 p-10 -78.19 99.1 6.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -91.99 140.54 29.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 70.4 m -114.03 120.77 41.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -112.62 141.1 46.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.2 m -125.06 111.79 15.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.574 HG12 ' HG3' ' A' ' 11' ' ' PRO . 72.9 t -96.39 147.08 6.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 50.4 mtm-85 -142.59 170.72 15.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -125.91 118.21 3.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.4 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.415 HD13 ' CD2' ' A' ' 84' ' ' LEU . 4.5 mm? -90.15 99.73 12.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 0.0 110.849 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.666 ' HG3' HG12 ' A' ' 35' ' ' VAL . 38.0 mtp180 -117.23 94.41 4.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.35 -151.12 50.5 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 3.46 2.73 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.661 2.24 . . . . 0.0 112.395 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -121.49 171.09 9.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.415 ' CD2' HD13 ' A' ' 79' ' ' LEU . 6.6 mt -127.55 164.96 20.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 58.2 p -103.49 178.02 4.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.1 m -71.78 127.86 90.28 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.619 0.723 . . . . 0.0 110.832 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 140.62 43.24 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.702 2.268 . . . . 0.0 112.335 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -129.73 115.61 17.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.9 t -116.31 171.43 7.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.416 ' HB ' HD23 ' A' ' 14' ' ' LEU . 16.7 tt -162.73 156.34 2.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.7 m -110.79 113.47 26.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.168 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -126.64 141.65 51.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 35.7 m -92.58 130.13 38.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.155 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 74.6 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.151 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 80' ' ' ARG . 12.3 m-20 . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.851 0.357 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.46 ' N ' ' HB ' ' A' ' 85' ' ' THR . . . -97.45 -170.14 33.09 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 138.05 36.72 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.326 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.1 p -135.83 163.54 29.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.147 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 61.23 36.64 17.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.595 HD23 ' CG2' ' A' ' 90' ' ' ILE . 7.4 tp -60.36 109.66 1.05 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -118.47 152.68 35.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 179.915 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.804 0.335 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.9 m -135.06 157.55 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.544 HD22 HD21 ' A' ' 14' ' ' LEU . 56.7 mt -99.59 153.1 19.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -141.09 118.63 11.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.571 ' CZ2' ' CD2' ' A' ' 38' ' ' TYR . 2.3 p90 -129.54 154.12 47.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 ttmm -95.26 127.41 42.46 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.628 0.728 . . . . 0.0 110.866 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 121.2 7.91 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.708 2.272 . . . . 0.0 112.34 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.4 Cg_endo -69.76 170.0 17.6 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.689 2.26 . . . . 0.0 112.316 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 31' ' ' PRO . 28.7 tt0 -34.59 -51.72 0.49 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -108.53 120.92 44.95 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.552 0.691 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 117.29 5.0 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.633 2.222 . . . . 0.0 112.369 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.473 HG22 ' CZ ' ' A' ' 38' ' ' TYR . 15.5 m -58.04 -178.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.452 ' OD2' HG23 ' A' ' 37' ' ' THR . 1.5 t70 -94.16 -54.13 3.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.452 HG23 ' OD2' ' A' ' 36' ' ' ASP . 17.3 p -142.29 134.55 27.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.169 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.571 ' CD2' ' CZ2' ' A' ' 28' ' ' TRP . 86.9 m-85 -92.04 126.99 37.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -95.11 107.29 19.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.517 HG13 HG22 ' A' ' 76' ' ' VAL . 5.3 mp -107.21 135.59 45.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -129.87 116.17 18.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.66 HG21 HD22 ' A' ' 63' ' ' LEU . 30.4 t -108.8 134.41 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 47.7 p -146.98 164.42 33.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.761 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -159.69 162.54 24.83 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.593 0.711 . . . . 0.0 111.072 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.662 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 54.5 Cg_endo -69.68 85.75 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.672 2.248 . . . . 0.0 112.398 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.5 -37.43 3.47 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.761 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -68.46 151.7 97.07 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.593 0.711 . . . . 0.0 111.05 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.76 148.55 65.33 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.656 2.238 . . . . 0.0 112.348 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 137.91 36.26 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.654 2.236 . . . . 0.0 112.301 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 51' ' ' GLN . 3.5 tp -119.78 130.17 54.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.976 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.413 ' N ' HD12 ' A' ' 50' ' ' LEU . 35.2 tt0 -125.3 122.16 36.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.822 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -141.02 169.66 17.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -146.64 166.06 27.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.474 ' HB ' ' CE1' ' A' ' 61' ' ' TYR . 5.0 t -159.6 143.18 10.63 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.573 0.701 . . . . 0.0 111.134 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 150.98 68.71 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.613 2.209 . . . . 0.0 112.317 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.48 -14.88 5.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.507 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.4 t -74.67 5.01 5.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.349 . . . . 0.0 110.863 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -124.6 132.51 53.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.129 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.1 m -112.48 29.13 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.125 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -170.3 140.85 1.93 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.822 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 7.1 t80 -133.41 96.62 16.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.659 0.742 . . . . 0.0 110.9 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 105.93 1.58 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.741 2.294 . . . . 0.0 112.332 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.66 HD22 HG21 ' A' ' 42' ' ' VAL . 7.6 mt -79.56 127.57 32.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.5 p80 -115.88 173.61 6.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.6 t0 59.49 51.29 6.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.592 ' HB3' HG21 ' A' ' 94' ' ' THR . 11.3 mt -118.57 116.49 26.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.8 t -54.45 132.52 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.756 HD22 ' H ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -75.37 166.72 23.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.958 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.445 ' N ' ' CD2' ' A' ' 69' ' ' HIS . 3.4 m170 53.34 40.59 31.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 86.3 m -147.07 130.96 17.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.402 ' OD1' ' C ' ' A' ' 71' ' ' ASN . 3.4 t-20 -70.94 121.1 17.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.9 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -119.65 127.36 52.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 94.8 m -106.86 120.52 42.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.124 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -110.5 142.51 42.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.063 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.3 m -128.29 112.05 14.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.133 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.517 HG22 HG13 ' A' ' 40' ' ' ILE . 64.0 t -95.77 150.93 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 52.6 mtm-85 -143.07 173.17 11.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.486 ' O ' HG23 ' A' ' 85' ' ' THR . . . -126.44 114.45 2.03 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.432 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -86.46 101.5 13.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.778 0.323 . . . . 0.0 110.949 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 9' ' ' ASP . 18.2 mtm180 -122.01 95.33 4.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 63.92 -153.38 47.7 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.491 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 3.95 2.46 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.701 2.267 . . . . 0.0 112.347 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -120.01 173.08 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 mt -128.74 156.93 42.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 78' ' ' GLY . 12.5 p -97.95 174.98 6.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.4 p -67.35 127.06 93.37 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.656 0.741 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 148.06 64.09 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.712 2.275 . . . . 0.0 112.328 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.72 115.59 13.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.096 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.3 t -118.3 160.51 21.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.595 ' CG2' HD23 ' A' ' 14' ' ' LEU . 18.2 tt -152.71 150.66 12.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.178 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.5 m -102.33 113.79 27.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.119 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.545 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 18.4 p90 -137.53 130.41 30.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 24.2 m -75.13 147.61 40.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.087 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.592 HG21 ' HB3' ' A' ' 66' ' ' LEU . 2.4 p . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.508 ' CG ' HG22 ' A' ' 85' ' ' THR . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.819 0.342 . . . . 0.0 110.831 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.406 ' N ' ' HB ' ' A' ' 85' ' ' THR . . . -109.45 -173.77 20.96 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.448 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 137.03 34.39 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.5 p -138.54 166.36 24.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 62.67 40.96 9.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.957 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.479 ' CD1' ' HB3' ' A' ' 28' ' ' TRP . 3.6 tp -69.0 140.42 55.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.943 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.445 ' HA ' HD12 ' A' ' 90' ' ' ILE . 10.9 mtp180 -141.23 162.0 36.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.079 179.9 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.888 0.375 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -127.05 163.48 29.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.503 HD11 HD11 ' A' ' 63' ' ' LEU . 35.6 mt -105.06 139.17 40.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -124.53 118.75 27.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.528 ' HH2' HG21 ' A' ' 54' ' ' THR . 1.8 p90 -129.45 151.9 49.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.422 ' N ' ' HE3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -93.53 128.14 43.42 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.548 0.69 . . . . 0.0 110.925 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 126.14 12.97 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.741 2.294 . . . . 0.0 112.299 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 173.33 11.19 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.599 2.199 . . . . 0.0 112.317 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -46.24 -48.82 17.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -103.77 123.02 42.62 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.67 0.748 . . . . 0.0 110.831 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 132.35 23.09 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.67 2.247 . . . . 0.0 112.345 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.652 HG12 ' CG ' ' A' ' 80' ' ' ARG . 22.8 m -80.69 -177.38 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.156 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -97.25 -55.38 2.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.4 p -142.02 135.21 29.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.644 ' HB2' HG23 ' A' ' 54' ' ' THR . 90.2 m-85 -92.07 133.78 35.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -98.41 101.62 13.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.826 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.459 HG13 HG13 ' A' ' 76' ' ' VAL . 5.1 mp -102.27 137.98 28.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -137.43 113.49 9.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.442 HG21 HD13 ' A' ' 63' ' ' LEU . 86.9 t -100.53 129.07 51.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.166 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.5 p -141.59 157.58 44.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.814 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -155.72 163.32 25.11 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 0.0 111.14 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.67 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 52.7 Cg_endo -69.81 82.6 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.726 2.284 . . . . 0.0 112.29 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 117.41 -35.11 4.26 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.476 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.814 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -69.36 151.63 96.79 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.546 0.688 . . . . 0.0 111.113 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 148.33 65.29 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.696 2.264 . . . . 0.0 112.311 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 145.03 56.46 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 0.0 112.324 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.439 HD12 ' N ' ' A' ' 51' ' ' GLN . 3.7 tp -128.55 130.14 46.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.439 ' N ' HD12 ' A' ' 50' ' ' LEU . 8.1 tp60 -123.11 116.29 23.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.702 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -137.75 154.97 49.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -130.81 162.68 29.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.644 HG23 ' HB2' ' A' ' 38' ' ' TYR . 1.2 t -151.85 145.98 18.25 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.559 0.695 . . . . 0.0 111.251 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 147.96 64.56 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.74 2.293 . . . . 0.0 112.355 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.99 -16.1 5.74 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.498 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 95.1 p -82.66 19.04 1.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.815 0.34 . . . . 0.0 110.875 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -129.4 131.95 46.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.0 m -115.11 27.43 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.183 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -170.61 133.78 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.824 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.702 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 12.6 t80 -132.22 97.45 18.12 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.628 0.727 . . . . 0.0 110.951 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 61' ' ' TYR . 53.9 Cg_endo -69.76 125.09 11.74 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.647 2.231 . . . . 0.0 112.351 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.503 HD11 HD11 ' A' ' 26' ' ' LEU . 6.1 mt -108.45 120.32 42.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -105.56 -179.58 3.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.79 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 63.56 49.76 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 44.2 mt -114.6 121.46 43.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 91.8 t -55.64 133.72 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.155 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.66 155.45 31.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.975 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 11.8 m170 60.89 49.6 5.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.5 m -161.65 139.49 9.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.203 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -76.92 133.27 39.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.837 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.583 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 10.5 m-85 -123.16 134.55 54.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.1 m -106.52 120.54 42.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.144 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -115.22 117.27 30.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.1 m -106.82 116.73 32.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.459 HG13 HG13 ' A' ' 40' ' ' ILE . 45.9 t -105.2 145.21 13.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 65.7 mtm-85 -138.13 172.92 12.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -125.46 128.52 6.59 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -94.57 100.43 12.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.763 0.316 . . . . 0.0 110.93 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.652 ' CG ' HG12 ' A' ' 35' ' ' VAL . 29.9 mmm-85 -119.76 95.52 4.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.98 -152.62 50.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.439 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 3.69 2.6 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.737 2.291 . . . . 0.0 112.291 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -121.39 178.08 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.9 mt -126.94 163.06 24.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.508 HG22 ' CG ' ' A' ' 9' ' ' ASP . 44.4 p -98.7 176.11 5.75 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.154 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 85.8 p -69.08 126.06 92.46 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.652 0.739 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 142.67 48.93 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.709 2.273 . . . . 0.0 112.395 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.39 117.4 16.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 26.3 t -126.14 152.45 45.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.826 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.445 HD12 ' HA ' ' A' ' 15' ' ' ARG . 18.7 tt -142.69 158.2 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.16 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.431 ' N ' HG12 ' A' ' 90' ' ' ILE . 0.7 OUTLIER -105.03 125.47 51.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.164 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.47 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 36.6 p90 -142.56 128.95 20.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.805 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 96.0 m -91.32 133.78 35.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.3 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.546 ' CB ' ' CZ ' ' A' ' 80' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.825 0.345 . . . . 0.0 110.86 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.23 -157.69 13.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.565 ' HG3' HG12 ' A' ' 76' ' ' VAL . 53.8 Cg_endo -69.73 121.69 8.38 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.624 2.216 . . . . 0.0 112.387 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 65.6 p -128.89 166.08 19.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 63.82 34.81 11.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.604 HD23 ' CG2' ' A' ' 90' ' ' ILE . 4.7 tp -58.27 125.55 23.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.965 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -127.88 172.45 10.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.804 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.963 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.518 ' HB1' ' CE1' ' A' ' 92' ' ' PHE . . . . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.835 0.35 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -135.0 159.23 41.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.158 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.5 mt -102.02 143.34 31.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -126.56 119.04 26.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.831 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.506 ' CE3' HG11 ' A' ' 76' ' ' VAL . 1.8 p90 -129.23 153.28 47.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -92.55 122.35 64.47 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.582 0.706 . . . . 0.0 110.935 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.443 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 54.0 Cg_endo -69.67 114.35 3.66 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.724 2.283 . . . . 0.0 112.322 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.443 ' HD2' ' HA ' ' A' ' 30' ' ' PRO . 53.6 Cg_endo -69.83 150.38 67.74 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.726 2.284 . . . . 0.0 112.329 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 31' ' ' PRO . 30.0 tt0 -34.28 -38.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.44 ' ND2' ' HB3' ' A' ' 9' ' ' ASP . 0.3 OUTLIER -96.78 106.64 31.75 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.621 0.724 . . . . 0.0 110.869 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 110.82 2.67 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.659 2.239 . . . . 0.0 112.311 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.586 HG21 ' CE1' ' A' ' 38' ' ' TYR . 14.3 m -60.87 -175.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.113 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -97.79 -55.73 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 39.4 p -141.89 140.63 32.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.586 ' CE1' HG21 ' A' ' 35' ' ' VAL . 73.8 m-85 -97.19 126.69 42.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -94.99 100.82 12.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.839 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.514 HD13 ' HB3' ' A' ' 61' ' ' TYR . 21.2 mt -100.79 134.93 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -132.44 111.73 11.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.586 HG21 HD22 ' A' ' 63' ' ' LEU . 62.9 t -97.63 130.97 45.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 67.8 p -145.97 161.16 40.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.484 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -165.1 157.43 13.58 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.534 0.683 . . . . 0.0 111.136 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.484 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 54.2 Cg_endo -69.76 99.99 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.641 2.227 . . . . 0.0 112.321 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 99.95 27.0 8.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.553 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.76 152.04 61.57 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.627 0.727 . . . . 0.0 111.078 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.63 146.44 61.03 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.391 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 139.9 41.44 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.667 2.245 . . . . 0.0 112.312 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.409 HD23 ' HB ' ' A' ' 42' ' ' VAL . 8.1 tp -122.55 128.4 50.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -124.68 132.75 53.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.416 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -149.3 174.45 12.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.089 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -150.73 159.52 44.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.4 t -157.32 144.08 13.31 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.517 0.675 . . . . 0.0 111.169 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 144.0 52.65 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.717 2.278 . . . . 0.0 112.334 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.525 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -39.66 -45.47 2.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 56' ' ' GLY . 66.8 m -35.04 -40.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.895 0.378 . . . . 0.0 110.849 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.78 146.04 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.1 m -124.0 19.79 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -168.44 143.25 3.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.977 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.514 ' HB3' HD13 ' A' ' 40' ' ' ILE . 8.3 t80 -132.08 96.69 19.45 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.686 0.755 . . . . 0.0 110.967 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 61' ' ' TYR . 54.0 Cg_endo -69.73 109.03 2.2 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.331 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.586 HD22 HG21 ' A' ' 42' ' ' VAL . 2.8 mt -86.59 132.17 33.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.543 ' C ' HD12 ' A' ' 66' ' ' LEU . 1.7 p80 -120.39 172.98 7.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.3 t0 68.17 44.67 1.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.552 HD23 ' CD2' ' A' ' 72' ' ' TYR . 5.7 mp -109.04 145.29 35.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.0 t -71.59 128.06 34.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.483 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -64.86 169.99 4.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.438 ' C ' ' O ' ' A' ' 68' ' ' LEU . 9.7 m-70 34.98 50.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.8 m -146.5 133.06 19.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -74.47 114.96 13.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.552 ' CD2' HD23 ' A' ' 66' ' ' LEU . 6.4 m-85 -111.44 125.78 54.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 78.1 m -101.78 123.22 45.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.078 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -109.98 152.39 25.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.056 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 39.1 m -134.87 106.35 6.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.081 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.565 HG12 ' HG3' ' A' ' 11' ' ' PRO . 29.0 t -94.37 146.46 6.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.909 ' NE ' HD21 ' A' ' 84' ' ' LEU . 20.7 mtt180 -142.41 168.64 19.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.814 ' O ' HG23 ' A' ' 85' ' ' THR . . . -126.31 110.78 1.31 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -82.9 95.69 8.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.805 0.335 . . . . 0.0 110.94 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.546 ' CZ ' ' CB ' ' A' ' 9' ' ' ASP . 23.0 mtm180 -107.33 93.79 4.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.82 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.31 -149.08 51.14 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.501 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 5.11 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.644 2.23 . . . . 0.0 112.318 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -125.36 164.86 19.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.909 HD21 ' NE ' ' A' ' 77' ' ' ARG . 8.2 tp -124.4 155.96 37.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.814 HG23 ' O ' ' A' ' 78' ' ' GLY . 2.0 p -96.51 171.3 8.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.174 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 55.4 m -66.33 130.68 94.24 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.743 0.782 . . . . 0.0 110.79 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 147.35 62.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.73 2.287 . . . . 0.0 112.341 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -131.57 115.62 16.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.8 t -117.17 154.18 31.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.863 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.604 ' CG2' HD23 ' A' ' 14' ' ' LEU . 17.7 tt -147.59 159.65 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.112 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.459 ' N ' HG12 ' A' ' 90' ' ' ILE . 4.7 m -105.92 131.63 53.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.518 ' CE1' ' HB1' ' A' ' 24' ' ' ALA . 46.8 p90 -155.77 132.24 10.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.6 m -80.22 145.5 32.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.9 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 -179.967 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.26 -170.18 23.05 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.394 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 131.89 22.19 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.344 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.8 p -136.65 175.28 9.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 54.99 37.83 29.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.484 ' CD1' ' HB3' ' A' ' 28' ' ' TRP . 6.2 tp -60.07 121.5 12.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -119.1 158.57 25.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.062 179.94 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.855 0.36 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.49 HG12 ' HB3' ' A' ' 62' ' ' PRO . 1.3 m -134.56 159.41 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.684 HD11 HD11 ' A' ' 63' ' ' LEU . 17.2 mt -99.86 150.71 22.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -130.21 119.74 23.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.865 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.601 ' CZ2' ' CD2' ' A' ' 38' ' ' TYR . 1.8 p90 -128.41 153.38 47.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -91.98 124.83 58.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.586 0.708 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 123.29 9.95 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.691 2.261 . . . . 0.0 112.352 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.2 Cg_endo -69.74 160.0 51.32 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.589 2.193 . . . . 0.0 112.326 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 31' ' ' PRO . 56.3 tt0 -36.41 -41.6 0.29 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -109.01 122.42 39.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.588 0.708 . . . . 0.0 110.962 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 115.86 4.3 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.723 2.282 . . . . 0.0 112.278 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.2 m -63.62 180.0 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -89.63 -58.29 2.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 31.0 p -140.98 144.94 35.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.601 ' CD2' ' CZ2' ' A' ' 28' ' ' TRP . 68.6 m-85 -98.28 130.11 44.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -94.85 102.78 14.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.607 HG12 HG22 ' A' ' 76' ' ' VAL . 16.8 mt -106.0 136.18 41.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -137.94 118.44 13.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.701 HG21 HD22 ' A' ' 63' ' ' LEU . 30.5 t -106.73 132.85 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.1 p -144.86 163.49 33.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.585 ' HB2' ' CD1' ' A' ' 72' ' ' TYR . . . -161.06 152.47 15.97 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.587 0.708 . . . . 0.0 111.057 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 81.68 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 128.2 -7.84 6.72 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.511 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.555 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -110.53 154.74 42.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.524 0.678 . . . . 0.0 111.139 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.91 152.48 68.56 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.698 2.265 . . . . 0.0 112.302 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 138.22 37.57 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.685 2.257 . . . . 0.0 112.4 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.464 HD23 ' HB ' ' A' ' 42' ' ' VAL . 6.6 tp -125.61 130.44 51.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.94 136.44 53.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.401 ' HB1' ' CZ ' ' A' ' 61' ' ' TYR . . . -151.4 150.07 30.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.079 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -132.76 159.21 40.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.56 147.52 15.53 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.658 0.742 . . . . 0.0 111.106 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 145.52 57.35 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.595 2.197 . . . . 0.0 112.34 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.407 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -44.56 -38.91 5.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.2 p -40.34 -29.47 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.345 . . . . 0.0 110.902 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -91.8 148.95 21.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.071 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.0 m -120.6 16.63 6.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.178 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -170.97 151.78 3.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.407 ' HA ' ' HD2' ' A' ' 62' ' ' PRO . 38.2 t80 -139.36 111.9 7.82 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-O 121.676 0.751 . . . . 0.0 110.94 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.49 ' HB3' HG12 ' A' ' 25' ' ' VAL . 54.4 Cg_endo -69.78 116.2 4.45 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.65 2.233 . . . . 0.0 112.361 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.701 HD22 HG21 ' A' ' 42' ' ' VAL . 8.5 mt -95.52 104.63 16.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -93.82 176.03 6.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.2 t70 63.4 52.11 2.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 81.5 mt -116.19 109.07 16.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.7 t -42.13 134.89 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.157 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.788 HD22 ' H ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -80.8 152.89 28.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.956 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 13.3 m170 64.25 41.83 5.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.803 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 48.5 m -156.24 138.58 14.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -76.59 139.89 40.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.585 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 10.2 m-85 -130.57 129.87 43.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.1 m -99.42 123.7 43.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.16 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -115.89 137.58 51.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.6 m -126.81 118.05 23.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.607 HG22 HG12 ' A' ' 40' ' ' ILE . 12.5 t -110.62 135.38 49.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.119 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 -130.13 169.44 15.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -114.11 132.67 10.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.502 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -98.09 101.12 12.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.818 0.342 . . . . 0.0 110.952 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 34.6 mtp180 -122.1 94.35 4.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 62.73 -152.44 45.64 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.444 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.77 3.87 2.53 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.687 2.258 . . . . 0.0 112.329 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -118.05 173.62 6.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.2 mt -128.99 156.91 43.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 60.0 p -95.3 177.69 5.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 83.8 p -69.43 130.38 90.85 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.633 0.73 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.82 142.38 47.5 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.639 2.226 . . . . 0.0 112.337 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -133.42 115.65 15.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.048 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 74' ' ' ALA . 9.0 t -122.58 170.04 10.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 17.3 tt -161.05 150.71 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.126 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.75 125.52 45.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -140.33 144.86 36.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 44.7 m -99.5 144.78 28.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.173 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.4 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.52 ' CG ' HG22 ' A' ' 85' ' ' THR . 21.5 p-10 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.799 0.333 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.418 ' N ' ' HB ' ' A' ' 85' ' ' THR . . . -118.64 -170.33 14.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.491 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.448 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 54.3 Cg_endo -69.73 132.49 23.49 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.637 2.225 . . . . 0.0 112.429 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.77 173.49 11.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 56.32 40.92 29.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.578 HD12 ' O ' ' A' ' 27' ' ' HIS . 8.3 tp -58.38 125.08 21.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 16' ' ' ALA . 23.0 tpt85 -113.97 150.0 34.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.422 ' N ' ' HG3' ' A' ' 15' ' ' ARG . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.827 0.346 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -134.37 158.98 42.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.083 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.7 mt -99.08 160.94 13.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.919 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.578 ' O ' HD12 ' A' ' 14' ' ' LEU . 3.9 t-80 -141.1 118.77 11.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.474 ' HB3' ' CD1' ' A' ' 14' ' ' LEU . 1.9 p90 -129.29 154.03 47.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -87.76 117.42 68.47 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.539 0.685 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.71 119.91 6.79 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.677 2.252 . . . . 0.0 112.346 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 160.01 51.27 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.685 2.257 . . . . 0.0 112.348 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -44.88 -39.93 5.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.529 ' ND2' ' NH1' ' A' ' 80' ' ' ARG . 0.6 OUTLIER -97.31 109.46 49.97 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.606 0.717 . . . . 0.0 110.898 -179.913 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 111.83 2.91 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.74 2.293 . . . . 0.0 112.328 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.579 HG12 ' HD3' ' A' ' 80' ' ' ARG . 12.9 m -61.52 -177.03 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -96.19 -52.68 3.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.2 p -141.92 136.65 30.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.764 ' HB2' HG23 ' A' ' 54' ' ' THR . 83.8 m-85 -95.85 129.58 43.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -97.05 115.26 27.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.968 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.505 HG13 HG22 ' A' ' 76' ' ' VAL . 5.3 mp -113.63 136.29 50.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.165 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -130.17 115.04 16.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.66 HG21 HD13 ' A' ' 63' ' ' LEU . 59.0 t -105.65 127.16 60.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.086 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 44.6 p -141.76 163.84 31.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.101 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.745 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -161.67 165.44 16.38 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.59 0.71 . . . . 0.0 111.093 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.745 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.6 Cg_endo -69.76 86.13 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.733 2.289 . . . . 0.0 112.326 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.44 -39.67 2.68 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.671 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -65.03 149.92 96.09 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.568 0.699 . . . . 0.0 111.167 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 150.31 67.96 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.604 2.203 . . . . 0.0 112.334 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.81 135.92 31.57 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.625 2.217 . . . . 0.0 112.363 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.1 tp -117.74 129.78 55.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -123.38 121.18 35.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.896 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -143.94 166.51 24.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.091 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -139.95 169.73 17.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.764 HG23 ' HB2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -157.82 148.02 15.7 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.574 0.702 . . . . 0.0 111.088 -179.883 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 151.14 68.9 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.605 2.203 . . . . 0.0 112.349 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.34 -17.76 40.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.0 t -75.17 5.23 5.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.812 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.54 147.73 38.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.0 m -123.47 19.34 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -169.41 141.45 2.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.896 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 15.0 t80 -125.1 98.5 35.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.638 0.733 . . . . 0.0 110.889 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 112.05 2.96 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.66 HD13 HG21 ' A' ' 42' ' ' VAL . 13.0 mt -97.53 131.39 44.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.902 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.2 p80 -118.92 178.43 4.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.14 51.39 4.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 44.2 mt -115.08 127.3 55.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 67.8 t -59.96 132.17 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.801 HD22 ' H ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -77.64 157.63 30.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 58.51 46.74 14.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.8 m -150.29 138.46 20.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -77.81 110.3 12.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.492 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 25.0 m-85 -109.44 128.77 55.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 94.3 m -104.64 119.64 39.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.108 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -109.46 141.21 42.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.166 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.2 m -133.5 120.04 20.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.165 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.505 HG22 HG13 ' A' ' 40' ' ' ILE . 62.0 t -106.32 151.73 8.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 51.9 mtm-85 -142.18 171.29 14.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -123.91 126.31 6.13 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.444 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -96.79 102.62 14.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.791 0.329 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.579 ' HD3' HG12 ' A' ' 35' ' ' VAL . 26.8 mtm180 -121.89 94.05 4.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 67.15 -153.5 52.9 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.414 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.65 3.42 2.73 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.707 2.271 . . . . 0.0 112.365 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -120.02 175.47 5.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.0 mt -127.81 166.91 17.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.52 HG22 ' CG ' ' A' ' 9' ' ' ASP . 59.0 p -105.96 177.99 4.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.144 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.3 m -71.22 129.37 89.23 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.739 0.78 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 149.26 66.05 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.684 2.256 . . . . 0.0 112.254 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 11' ' ' PRO . . . -138.19 115.58 11.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.105 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.5 t -121.65 168.85 11.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.867 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.414 HD12 ' O ' ' A' ' 14' ' ' LEU . 16.4 tt -157.51 156.47 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.066 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 14.7 m -109.24 114.54 28.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -130.63 154.04 48.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 35.3 m -107.29 127.53 53.63 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.076 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.8 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.441 ' OD2' ' NH2' ' A' ' 80' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.851 0.358 . . . . 0.0 110.891 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -116.83 -164.57 13.6 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.525 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.461 ' HG3' HG12 ' A' ' 76' ' ' VAL . 53.8 Cg_endo -69.71 124.52 11.18 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.781 2.321 . . . . 0.0 112.306 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.3 p -127.26 172.48 10.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.165 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 56.56 38.18 29.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.409 HD12 ' HB3' ' A' ' 28' ' ' TRP . 6.6 tp -62.52 128.87 38.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.8 ttm-85 -141.5 164.23 30.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.527 ' HB2' HD13 ' A' ' 90' ' ' ILE . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.072 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.539 ' HB3' ' CE2' ' A' ' 92' ' ' PHE . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.813 0.34 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -135.0 163.33 36.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.579 HD21 ' HB3' ' A' ' 74' ' ' ALA . 19.4 mt -94.08 149.53 21.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.964 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -134.91 118.92 17.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.823 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.604 ' CE3' HG11 ' A' ' 76' ' ' VAL . 1.9 p90 -129.37 153.95 47.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -92.92 121.77 65.14 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.56 0.695 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 121.17 7.86 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.712 2.274 . . . . 0.0 112.331 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.0 Cg_endo -69.75 161.85 44.33 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.703 2.269 . . . . 0.0 112.352 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 31' ' ' PRO . 0.5 OUTLIER -34.32 -54.66 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.46 121.72 54.02 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.605 0.717 . . . . 0.0 110.842 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 120.24 7.05 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.783 2.322 . . . . 0.0 112.327 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.754 HG12 ' HG2' ' A' ' 80' ' ' ARG . 5.0 m -62.06 -178.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -87.94 -59.19 2.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.1 p -141.93 145.31 34.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.092 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.71 ' CE1' HG21 ' A' ' 35' ' ' VAL . 76.4 m-85 -100.24 130.64 46.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -96.94 106.5 18.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.1 mp -106.26 136.05 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -137.01 117.22 13.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.745 HG21 HD22 ' A' ' 63' ' ' LEU . 82.3 t -109.26 130.23 62.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.2 p -146.72 174.86 11.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.198 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.695 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -168.78 159.58 8.22 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.588 0.709 . . . . 0.0 111.129 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.555 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.8 Cg_endo -69.74 -9.29 25.75 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.741 2.294 . . . . 0.0 112.299 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -147.09 37.11 1.18 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.48 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.695 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -150.65 154.9 35.73 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.569 0.7 . . . . 0.0 111.093 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.407 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.5 Cg_endo -69.82 147.32 62.24 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 145.35 57.13 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.723 2.282 . . . . 0.0 112.344 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.53 HD23 ' HB ' ' A' ' 42' ' ' VAL . 6.7 tp -130.07 135.1 47.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -132.75 128.69 37.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.531 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -150.8 172.07 16.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -147.98 155.04 41.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.449 HG23 ' HB2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -148.66 151.8 36.49 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.604 0.716 . . . . 0.0 111.105 -179.869 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 148.51 65.34 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.695 2.264 . . . . 0.0 112.329 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.559 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -51.31 -34.3 33.08 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.53 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 t -52.39 -17.88 1.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.823 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.4 152.22 22.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.2 m -128.89 14.56 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.154 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -171.03 148.0 2.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.531 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 33.5 t80 -138.69 106.08 7.59 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.645 0.736 . . . . 0.0 110.961 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 134.2 27.38 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.652 2.234 . . . . 0.0 112.32 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.745 HD22 HG21 ' A' ' 42' ' ' VAL . 14.8 mt -104.93 136.81 43.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.669 ' C ' HD12 ' A' ' 66' ' ' LEU . 12.2 p80 -122.02 177.17 5.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.815 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 63.25 41.44 7.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.669 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.6 mp -109.9 137.41 47.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 68' ' ' LEU . 86.5 t -78.39 117.6 24.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.525 HD13 ' O ' ' A' ' 94' ' ' THR . 0.6 OUTLIER -34.66 -74.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.963 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -76.51 69.69 2.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 65.9 m -163.95 135.34 4.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -85.17 127.19 34.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.493 ' CG ' HD23 ' A' ' 66' ' ' LEU . 58.4 m-85 -119.16 125.64 49.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 45.8 m -103.34 118.9 37.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.085 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.579 ' HB3' HD21 ' A' ' 26' ' ' LEU . . . -106.51 142.43 36.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.049 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.5 m -124.35 109.24 13.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.604 HG11 ' CE3' ' A' ' 28' ' ' TRP . 21.2 t -96.4 139.48 19.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 19.3 mtt85 -140.14 152.74 46.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -107.44 121.62 6.54 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.529 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -87.8 105.24 17.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.753 0.311 . . . . 0.0 110.992 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.754 ' HG2' HG12 ' A' ' 35' ' ' VAL . 21.6 mmm-85 -122.01 95.15 4.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 61.6 -152.34 42.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.567 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 3.75 2.58 Favored 'Trans proline' 0 N--CA 1.465 -0.199 0 C-N-CA 122.676 2.251 . . . . 0.0 112.369 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -117.55 176.35 5.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.957 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.5 mt -128.73 160.89 31.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 38.6 p -102.66 176.0 5.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 49.8 m -68.43 123.6 87.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.646 0.736 . . . . 0.0 110.875 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.78 144.39 53.77 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.637 2.225 . . . . 0.0 112.332 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -126.99 116.75 21.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 29.5 t -117.52 158.17 25.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.527 HD13 ' HB2' ' A' ' 16' ' ' ALA . 7.0 tt -158.84 152.48 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.453 ' N ' HG12 ' A' ' 90' ' ' ILE . 0.7 OUTLIER -109.39 117.77 34.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.539 ' CE2' ' HB3' ' A' ' 24' ' ' ALA . 41.1 p90 -130.78 124.34 31.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.2 m -79.6 140.21 37.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.105 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.525 ' O ' HD13 ' A' ' 68' ' ' LEU . 9.0 p . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.084 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.438 ' HB3' ' ND2' ' A' ' 33' ' ' ASN . 25.7 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.87 0.367 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.82 -155.93 7.19 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.51 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.425 ' CB ' ' HB2' ' A' ' 28' ' ' TRP . 54.5 Cg_endo -69.69 122.81 9.51 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.712 2.275 . . . . 0.0 112.387 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.3 p -126.48 177.11 6.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 51.18 36.12 15.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.505 HD23 ' CG2' ' A' ' 90' ' ' ILE . 5.8 tp -57.94 112.39 1.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.7 mtt180 -113.74 151.5 31.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 179.891 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.512 ' HB1' ' CE1' ' A' ' 92' ' ' PHE . . . . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.801 0.334 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -126.35 152.86 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.2 mt -96.25 151.22 19.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -137.66 120.32 16.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.582 ' CE3' HG11 ' A' ' 76' ' ' VAL . 2.2 p90 -129.25 154.21 47.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -94.28 125.71 51.21 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.614 0.721 . . . . 0.0 110.884 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.447 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 54.6 Cg_endo -69.71 111.91 2.93 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.628 2.219 . . . . 0.0 112.363 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.447 ' HD2' ' HA ' ' A' ' 30' ' ' PRO . 53.6 Cg_endo -69.72 167.72 23.58 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.249 . . . . 0.0 112.359 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -48.9 -51.26 30.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.438 ' ND2' ' HB3' ' A' ' 9' ' ' ASP . 5.8 p30 -72.16 111.83 12.29 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.598 0.713 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.77 113.98 3.55 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.653 2.235 . . . . 0.0 112.33 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.855 HG21 ' CE1' ' A' ' 38' ' ' TYR . 23.1 m -75.85 179.76 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.09 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -107.48 -55.96 2.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.479 ' O ' HD23 ' A' ' 79' ' ' LEU . 16.0 p -142.4 139.74 31.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.098 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.855 ' CE1' HG21 ' A' ' 35' ' ' VAL . 84.6 m-85 -96.05 129.83 43.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -95.94 103.03 14.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.1 mp -98.88 132.79 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.139 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -132.36 117.07 17.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.466 HG21 HD22 ' A' ' 63' ' ' LEU . 43.4 t -110.09 132.27 58.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 38.6 p -143.86 172.17 13.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.109 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.76 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -169.32 150.54 4.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.555 0.693 . . . . 0.0 111.176 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 82.26 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.723 2.282 . . . . 0.0 112.341 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 125.17 -17.67 7.05 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.439 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.76 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -98.45 154.6 37.49 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.566 0.698 . . . . 0.0 111.102 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 150.15 67.85 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.755 2.303 . . . . 0.0 112.343 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 148.82 65.96 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.676 2.251 . . . . 0.0 112.397 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.1 tp -133.32 132.39 41.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.44 ' C ' ' CD ' ' A' ' 51' ' ' GLN . 8.9 tm0? -124.97 135.6 52.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -155.47 145.13 21.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.045 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -125.07 161.11 27.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.519 ' OG1' ' HB3' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -156.24 139.9 11.29 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.59 0.709 . . . . 0.0 111.177 -179.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 151.98 69.36 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.733 2.289 . . . . 0.0 112.33 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 58' ' ' ALA . . . -45.0 -45.92 9.39 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.518 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.8 p -39.36 -25.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.937 0.399 . . . . 0.0 110.927 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.519 ' HB3' ' OG1' ' A' ' 54' ' ' THR . . . -93.03 143.94 25.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.105 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.3 m -123.47 17.3 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.7 p30 -171.23 149.43 2.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -139.89 107.07 6.9 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.673 0.749 . . . . 0.0 110.893 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 122.9 9.59 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.668 2.245 . . . . 0.0 112.364 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.466 HD22 HG21 ' A' ' 42' ' ' VAL . 10.0 mt -97.99 112.49 24.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -108.2 167.93 9.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.6 t70 70.95 44.32 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 36.0 mt -112.19 137.45 50.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.2 t -66.49 134.57 29.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.076 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.814 HD22 ' H ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -75.06 162.89 28.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 50.48 43.57 27.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 59.5 m -144.93 127.47 16.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.157 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -71.93 98.18 1.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.51 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 11.7 m-85 -93.67 121.35 35.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.7 m -95.35 123.46 38.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.062 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -112.08 153.42 26.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.055 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.2 m -137.78 116.64 12.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.582 HG11 ' CE3' ' A' ' 28' ' ' TRP . 45.0 t -109.38 142.52 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 -138.7 179.86 6.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -129.53 128.71 5.81 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.479 HD23 ' O ' ' A' ' 37' ' ' THR . 4.3 mm? -87.58 92.65 9.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.773 0.32 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.566 ' HG3' HG12 ' A' ' 35' ' ' VAL . 42.0 mtp180 -112.85 97.1 6.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.813 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.412 ' HA3' ' HD2' ' A' ' 82' ' ' PRO . . . 64.4 -147.89 50.97 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.496 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.412 ' HD2' ' HA3' ' A' ' 81' ' ' GLY . 53.4 Cg_endo -69.74 3.1 2.96 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.728 2.285 . . . . 0.0 112.308 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -133.37 174.94 9.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.954 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.5 mp -123.25 166.17 15.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.938 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 19.5 p -86.19 178.48 7.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.197 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.0 m -66.47 132.49 94.26 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.664 0.745 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 137.18 34.72 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.715 2.277 . . . . 0.0 112.295 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -125.8 115.57 20.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.7 t -117.5 149.7 40.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.505 ' CG2' HD23 ' A' ' 14' ' ' LEU . 17.6 tt -145.85 147.98 17.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.158 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.1 m -101.92 118.44 36.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.512 ' CE1' ' HB1' ' A' ' 24' ' ' ALA . 38.9 p90 -136.21 133.91 37.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 88.6 m -84.47 132.12 34.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.3 p . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.179 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.438 ' HB3' ' ND2' ' A' ' 33' ' ' ASN . 40.6 m-20 . . . . . 0 C--O 1.23 0.028 0 CA-C-O 120.889 0.376 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.0 -165.05 18.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.548 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 141.88 46.54 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.7 2.266 . . . . 0.0 112.354 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.8 p -143.8 -179.64 6.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.145 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 53.39 29.35 8.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.607 HD23 ' HB ' ' A' ' 90' ' ' ILE . 4.6 tp -60.38 139.96 57.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.417 ' HA ' HD13 ' A' ' 90' ' ' ILE . 32.2 mtp180 -154.46 155.69 35.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.094 179.948 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.906 0.384 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -127.54 162.79 32.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.5 mt -100.16 142.36 31.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.424 ' O ' HD12 ' A' ' 14' ' ' LEU . 10.7 t-80 -125.97 118.88 26.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.856 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.491 ' HB3' ' CD1' ' A' ' 14' ' ' LEU . 1.9 p90 -129.46 154.12 47.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.37 123.05 61.61 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.588 0.709 . . . . 0.0 110.923 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.422 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 53.6 Cg_endo -69.7 115.23 3.99 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.702 2.268 . . . . 0.0 112.353 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 32' ' ' GLN . 54.3 Cg_endo -69.74 150.63 68.57 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.383 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 31' ' ' PRO . 8.5 tp-100 -34.26 -46.01 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.438 ' ND2' ' HB3' ' A' ' 9' ' ' ASP . 0.3 OUTLIER -92.57 106.78 19.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.62 0.724 . . . . 0.0 110.899 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 116.13 4.42 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.696 2.264 . . . . 0.0 112.383 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.671 HG12 ' HG3' ' A' ' 80' ' ' ARG . 27.0 m -65.15 -175.68 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.127 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -97.65 -53.19 3.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.814 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.0 p -140.76 137.24 33.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.813 ' HB2' HG23 ' A' ' 54' ' ' THR . 84.7 m-85 -94.86 125.53 39.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -95.75 112.41 24.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.826 HG12 HG22 ' A' ' 76' ' ' VAL . 19.9 mt -113.52 135.98 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -129.67 107.92 9.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.846 HG21 HD22 ' A' ' 63' ' ' LEU . 2.0 t -103.18 118.41 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.6 p -138.56 161.12 37.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.47 154.7 16.06 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.64 0.733 . . . . 0.0 111.09 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.87 95.23 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.595 2.197 . . . . 0.0 112.352 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.02 17.25 6.89 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.447 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -142.23 156.8 64.28 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.585 0.707 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.447 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 54.0 Cg_endo -69.77 158.15 57.93 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.647 2.231 . . . . 0.0 112.375 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 146.05 59.44 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.632 2.221 . . . . 0.0 112.352 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.491 ' CD1' ' C ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -112.29 121.37 44.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.47 ' N ' HD13 ' A' ' 50' ' ' LEU . 4.6 tm0? -125.98 114.5 18.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.447 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -155.04 143.12 20.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -120.84 160.09 24.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.955 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.813 HG23 ' HB2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -145.5 152.28 49.16 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.595 0.712 . . . . 0.0 111.16 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 149.6 67.55 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.258 . . . . 0.0 112.308 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.486 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -59.49 -15.01 30.43 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.7 t -79.21 11.68 2.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.807 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -110.75 157.16 20.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.091 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.695 HG23 ' OD2' ' A' ' 60' ' ' ASP . 29.7 m -125.96 -7.95 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.171 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.695 ' OD2' HG23 ' A' ' 59' ' ' VAL . 6.7 m-20 -154.24 150.36 27.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.447 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 15.8 t80 -134.97 99.36 12.46 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.757 0.789 . . . . 0.0 110.877 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 61' ' ' TYR . 53.8 Cg_endo -69.66 117.66 5.21 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.743 2.296 . . . . 0.0 112.338 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.846 HD22 HG21 ' A' ' 42' ' ' VAL . 4.4 mt -92.72 132.92 36.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.949 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -117.63 164.73 14.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.4 t0 71.17 47.34 0.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.489 HD11 ' HB2' ' A' ' 63' ' ' LEU . 55.2 mt -110.57 120.25 41.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 86.4 t -54.92 130.88 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.195 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.434 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 1.2 mm? -77.74 158.14 29.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 61.15 46.67 7.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.8 m -157.89 130.79 7.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -72.38 111.24 7.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -104.29 133.17 49.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 56.1 m -102.01 119.97 39.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.103 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -111.84 131.29 55.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.0 m -123.65 119.72 30.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.826 HG22 HG12 ' A' ' 40' ' ' ILE . 24.8 t -105.99 145.52 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.5 mtm-85 -138.96 168.03 20.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -120.85 134.84 10.44 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.444 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -100.41 102.35 13.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.797 0.332 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.671 ' HG3' HG12 ' A' ' 35' ' ' VAL . 24.9 mtp180 -122.06 94.16 4.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.68 -152.88 50.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 3.54 2.7 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.783 2.322 . . . . 0.0 112.283 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -119.42 177.59 4.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.3 mt -128.46 164.98 21.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 40.3 p -102.31 176.53 5.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 82.6 p -69.21 124.13 89.76 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.683 0.754 . . . . 0.0 110.918 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 138.91 39.03 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.742 2.294 . . . . 0.0 112.386 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -122.8 115.66 22.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.9 t -108.22 152.69 24.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.837 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.607 ' HB ' HD23 ' A' ' 14' ' ' LEU . 1.4 tp -142.21 139.72 29.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.13 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.486 ' N ' HG13 ' A' ' 90' ' ' ILE . 34.0 m -109.55 110.02 20.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.158 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -135.84 155.64 50.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 57.6 m -99.72 138.51 36.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.5 p . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.51 ' HB2' HG22 ' A' ' 85' ' ' THR . 4.3 m-20 . . . . . 0 C--O 1.229 0.018 0 CA-C-O 120.923 0.392 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -107.02 -166.75 22.27 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.446 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.415 ' HG3' HG12 ' A' ' 76' ' ' VAL . 53.9 Cg_endo -69.74 138.66 38.43 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.644 2.229 . . . . 0.0 112.383 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.7 p -137.29 174.05 11.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 49.99 35.92 10.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 28' ' ' TRP . 8.8 tp -58.1 130.49 46.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -135.93 -178.92 5.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.128 179.871 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.792 0.33 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -135.03 163.77 35.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.406 HD11 HD11 ' A' ' 63' ' ' LEU . 20.6 mt -101.48 141.4 34.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.94 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -125.81 119.15 27.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.761 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.485 ' CZ2' ' CD2' ' A' ' 38' ' ' TYR . 1.7 p90 -129.25 149.03 51.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -90.57 122.56 66.99 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.599 0.714 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 123.61 10.27 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.68 2.253 . . . . 0.0 112.334 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.7 Cg_endo -69.78 163.84 36.78 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.377 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 31' ' ' PRO . 6.3 tt0 -37.6 -48.08 0.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.425 ' ND2' ' CZ ' ' A' ' 80' ' ' ARG . 0.7 OUTLIER -104.38 121.43 47.38 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.591 0.71 . . . . 0.0 110.923 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.63 129.09 17.13 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.703 2.269 . . . . 0.0 112.356 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.622 HG21 ' CE1' ' A' ' 38' ' ' TYR . 33.2 m -71.52 -174.87 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.174 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -95.62 -57.76 2.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.1 p -140.7 142.93 34.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.108 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.622 ' CE1' HG21 ' A' ' 35' ' ' VAL . 71.5 m-85 -99.66 126.39 45.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -95.43 97.05 9.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.407 ' N ' HD12 ' A' ' 40' ' ' ILE . 5.2 mp -97.31 138.83 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -137.92 109.58 7.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.649 HG21 HD22 ' A' ' 63' ' ' LEU . 96.1 t -99.94 127.35 52.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.8 p -146.75 168.52 21.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.212 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.416 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -173.68 154.64 2.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.575 0.702 . . . . 0.0 111.098 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 107.73 1.93 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.644 2.229 . . . . 0.0 112.342 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.77 20.23 37.78 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.416 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -136.18 152.69 75.77 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.538 0.685 . . . . 0.0 111.095 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 132.37 23.19 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.398 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.64 147.17 63.07 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.67 2.246 . . . . 0.0 112.312 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' ' 51' ' ' GLN . 3.5 tp -132.98 130.56 39.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.526 ' N ' HD12 ' A' ' 50' ' ' LEU . 60.0 tt0 -130.95 140.4 50.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.605 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -159.16 177.96 10.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -145.86 159.53 43.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.2 t -156.51 144.46 14.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.58 0.705 . . . . 0.0 111.203 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.75 146.28 59.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.651 2.234 . . . . 0.0 112.342 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.449 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -42.58 -40.18 3.7 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.465 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' GLY . 3.7 m -37.61 -32.49 0.05 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.902 0.382 . . . . 0.0 110.923 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 56' ' ' GLY . . . -87.44 150.43 23.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.048 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.2 m -125.94 16.42 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -166.89 146.64 5.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.605 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 11.6 t80 -132.22 99.25 16.31 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.691 0.758 . . . . 0.0 111.002 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 61' ' ' TYR . 54.0 Cg_endo -69.72 129.02 16.91 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.649 HD22 HG21 ' A' ' 42' ' ' VAL . 4.3 mt -111.36 136.48 50.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -120.14 178.2 4.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.816 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 59.48 55.07 4.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.432 ' CB ' HG21 ' A' ' 94' ' ' THR . 10.0 mt -124.9 123.98 41.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.1 t -58.51 113.54 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.149 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.679 HD22 ' H ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -42.04 -63.17 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.961 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -74.34 61.54 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.1 m -167.44 121.75 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -79.95 108.51 13.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -92.37 122.04 34.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.959 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 78.5 m -89.65 119.08 29.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.173 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -107.86 143.46 36.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.5 m -128.32 105.04 8.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.084 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.474 HG11 ' CE3' ' A' ' 28' ' ' TRP . 24.8 t -91.53 144.11 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.807 ' HD2' HD11 ' A' ' 84' ' ' LEU . 49.2 mtm-85 -139.74 163.84 31.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.472 ' O ' HG23 ' A' ' 85' ' ' THR . . . -121.61 114.15 2.48 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.61 103.69 16.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.834 0.349 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.501 ' HG3' HG12 ' A' ' 35' ' ' VAL . 45.5 mtp180 -121.73 96.83 5.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 67.26 -152.7 52.8 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 2.93 3.08 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.616 2.211 . . . . 0.0 112.379 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -121.06 162.9 19.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.807 HD11 ' HD2' ' A' ' 77' ' ' ARG . 7.9 tp -120.32 151.5 39.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.51 HG22 ' HB2' ' A' ' 9' ' ' ASP . 33.7 p -91.39 168.24 11.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.1 p -66.41 128.77 94.02 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 121.637 0.732 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 152.68 69.26 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.67 2.246 . . . . 0.0 112.322 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -139.12 115.52 10.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.5 t -114.16 167.98 10.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.828 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 11.8 tt -162.48 147.97 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.134 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 5.5 m -100.33 119.95 39.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.148 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -138.96 130.12 26.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.44 142.63 32.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.432 HG21 ' CB ' ' A' ' 66' ' ' LEU . 3.3 p . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.0 p -57.1 100.89 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 110.83 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.2 p -123.7 102.81 8.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.815 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.02 163.93 38.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.45 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -91.48 115.07 27.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 0.0 110.853 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 t -146.11 152.3 39.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.81 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.03 146.29 16.91 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.469 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.632 ' HG3' HG21 ' A' ' 12' ' ' THR . 53.7 Cg_endo -69.8 -165.81 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.667 2.245 . . . . 0.0 112.338 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.455 ' HB2' HG22 ' A' ' 85' ' ' THR . 65.6 m-20 -89.0 -19.4 25.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.89 -177.65 20.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.438 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.431 ' HG3' HG12 ' A' ' 76' ' ' VAL . 53.9 Cg_endo -69.74 137.01 34.52 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.656 2.237 . . . . 0.0 112.344 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.632 HG21 ' HG3' ' A' ' 8' ' ' PRO . 5.7 p -140.58 173.43 11.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.174 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 55.21 40.14 31.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.875 HD23 ' CG2' ' A' ' 90' ' ' ILE . 6.2 tp -58.71 125.21 22.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.977 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.416 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 47.5 ttt85 -122.93 154.86 37.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.921 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.416 ' N ' ' HG2' ' A' ' 15' ' ' ARG . . . -99.17 105.13 17.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.817 HD23 ' H ' ' A' ' 18' ' ' ASN . 1.5 tt -74.53 166.84 22.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.817 ' H ' HD23 ' A' ' 17' ' ' LEU . 1.7 t-20 -71.1 120.75 17.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.687 ' H ' HD22 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.19 161.45 13.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.6 m -127.05 131.35 50.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 38.38 39.37 0.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 75.87 45.31 17.03 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.514 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.462 ' CZ ' ' HB2' ' A' ' 62' ' ' PRO . 2.2 t80 -123.16 113.85 19.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.958 0.408 . . . . 0.0 110.893 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.502 ' HA ' HD12 ' A' ' 19' ' ' LEU . . . -97.24 125.06 41.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.104 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.418 ' CG1' ' HB3' ' A' ' 62' ' ' PRO . 1.8 m -134.6 164.87 32.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.177 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.1 mt -104.38 151.67 23.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.433 ' NE2' HD13 ' A' ' 17' ' ' LEU . 21.7 m-70 -138.34 118.99 13.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.598 ' CE3' HG11 ' A' ' 76' ' ' VAL . 2.3 p90 -127.75 153.76 46.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -93.68 124.06 58.03 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.554 0.692 . . . . 0.0 110.891 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 125.8 12.63 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.682 2.255 . . . . 0.0 112.357 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 32' ' ' GLN . 54.3 Cg_endo -69.83 166.09 28.86 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 31' ' ' PRO . 5.7 tp-100 -37.28 -45.47 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.953 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.64 123.26 35.2 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.668 0.746 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 141.68 45.52 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.311 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.765 HG12 ' CG ' ' A' ' 80' ' ' ARG . 9.5 m -85.38 -176.0 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -97.05 -49.91 4.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.823 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.2 p -142.11 139.24 32.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.166 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.695 ' CE1' HG21 ' A' ' 35' ' ' VAL . 94.6 m-85 -101.33 126.46 48.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -94.99 113.81 25.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.458 HG13 HG22 ' A' ' 76' ' ' VAL . 4.5 mp -112.2 136.53 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -130.45 113.93 14.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.8 t -104.77 126.61 59.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.1 p -146.98 160.67 42.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.66 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -159.97 162.56 24.25 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.622 0.725 . . . . 0.0 111.052 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.655 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.8 Cg_endo -69.74 88.4 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.723 2.282 . . . . 0.0 112.4 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.32 -38.01 3.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.66 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -70.05 151.87 95.97 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.616 0.722 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 147.96 64.0 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 143.17 49.85 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.692 2.261 . . . . 0.0 112.286 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.6 tp -129.8 130.11 44.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -127.3 136.19 51.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.561 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -156.22 177.02 11.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.091 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -150.09 156.25 41.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.658 HG23 ' HB2' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -141.67 147.55 46.14 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.555 0.693 . . . . 0.0 111.132 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 146.47 60.29 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.68 2.253 . . . . 0.0 112.315 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.63 -16.59 5.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.494 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 92.4 p -81.9 17.21 1.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 110.879 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.25 140.93 51.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.002 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.8 m -121.75 25.53 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -169.39 138.37 1.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.561 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 11.2 t80 -132.9 96.44 17.99 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.639 0.733 . . . . 0.0 110.965 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.462 ' HB2' ' CZ ' ' A' ' 23' ' ' PHE . 53.2 Cg_endo -69.78 123.59 10.24 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.66 2.24 . . . . 0.0 112.387 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.3 mt -102.15 134.98 44.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.618 ' C ' HD12 ' A' ' 66' ' ' LEU . 1.1 p80 -121.52 179.52 4.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 63.72 31.95 14.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.79 ' HB3' HG21 ' A' ' 94' ' ' THR . 5.5 mp -99.91 135.35 41.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.403 HG23 ' OH ' ' A' ' 72' ' ' TYR . 89.2 t -69.5 115.19 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.159 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.779 HD13 ' O ' ' A' ' 94' ' ' THR . 0.5 OUTLIER -38.64 -70.89 0.09 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -75.33 70.14 2.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.4 m -169.94 126.96 0.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -82.47 109.73 16.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.559 ' CD2' HD23 ' A' ' 66' ' ' LEU . 67.2 m-85 -96.84 120.58 37.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 62.0 m -94.49 119.1 32.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -107.8 146.54 32.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.093 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.6 m -131.55 102.75 6.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.598 HG11 ' CE3' ' A' ' 28' ' ' TRP . 21.5 t -89.05 146.79 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.434 ' NH2' ' HB3' ' A' ' 84' ' ' LEU . 5.1 mtp180 -139.86 174.12 10.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.54 ' O ' HG23 ' A' ' 85' ' ' THR . . . -126.8 113.52 1.79 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.451 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -84.76 100.35 11.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.765 ' CG ' HG12 ' A' ' 35' ' ' VAL . 30.5 mmm-85 -118.25 94.66 4.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.14 -152.23 52.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.539 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 3.67 2.62 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.671 2.248 . . . . 0.0 112.382 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -120.84 175.89 5.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.434 ' HB3' ' NH2' ' A' ' 77' ' ' ARG . 6.1 mt -125.72 167.0 15.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.915 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 78' ' ' GLY . 45.3 p -107.34 177.34 4.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.147 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 53.1 p -70.59 124.82 91.58 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.699 0.762 . . . . 0.0 110.812 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 151.8 68.75 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.746 2.297 . . . . 0.0 112.319 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -131.5 115.7 16.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.7 t -114.85 153.79 29.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.875 ' CG2' HD23 ' A' ' 14' ' ' LEU . 12.1 tt -158.58 150.09 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.5 m -101.85 126.87 48.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.538 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 29.0 p90 -145.99 124.29 12.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.1 m -74.07 145.33 44.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.79 HG21 ' HB3' ' A' ' 66' ' ' LEU . 0.8 OUTLIER -93.62 23.02 4.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -148.01 90.42 0.14 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.448 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.447 ' O ' ' CD ' ' A' ' 97' ' ' GLU . 12.2 tp -124.35 38.94 4.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.349 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.447 ' CD ' ' O ' ' A' ' 96' ' ' LEU . 15.5 mp0 -160.18 113.59 2.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -172.26 143.57 1.31 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.528 0.68 . . . . 0.0 111.118 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 100' ' ' ARG . 53.5 Cg_endo -69.77 136.83 33.95 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.605 2.204 . . . . 0.0 112.365 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 99' ' ' PRO . 37.2 mtm-85 34.61 50.06 0.4 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -120.62 -44.5 2.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.6 mp -98.65 -50.35 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.954 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -69.03 -54.16 16.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.24 164.35 26.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -93.71 -33.06 13.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 55.32 43.65 28.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.441 ' O ' HG23 ' A' ' 107' ' ' VAL . 35.0 m -114.44 125.02 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.158 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.668 HG23 ' O ' ' A' ' 108' ' ' THR . 10.2 t -124.89 87.0 55.72 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.596 0.712 . . . . 0.0 111.151 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 117.41 5.07 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.301 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 76.1 p -88.19 116.24 26.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -135.32 69.48 0.52 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -178.79 2.5 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.711 2.274 . . . . 0.0 112.298 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.2 t -150.04 158.65 44.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.3 t -160.42 168.18 25.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.445 -179.956 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -56.28 177.79 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.841 0.353 . . . . 0.0 110.798 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 m -127.93 123.96 36.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.81 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.78 -118.02 1.8 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.527 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.3 t 40.38 43.11 1.41 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.912 0.387 . . . . 0.0 110.931 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.3 t -123.31 108.57 12.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.897 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.63 84.16 0.22 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 163.21 39.09 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.71 2.274 . . . . 0.0 112.345 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -99.97 22.88 10.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -116.16 179.73 17.9 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.45 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.585 ' HG3' HG12 ' A' ' 76' ' ' VAL . 53.5 Cg_endo -69.76 129.25 17.26 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.713 2.275 . . . . 0.0 112.322 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.7 p -134.19 168.97 17.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 67.01 28.93 8.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.531 HD23 ' HB ' ' A' ' 90' ' ' ILE . 3.8 tp -59.54 137.35 58.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -153.47 164.25 38.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -113.69 106.34 14.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.1 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.74 170.03 16.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -70.62 104.6 2.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.685 HD22 ' HA ' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -122.03 174.07 7.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.532 HG21 ' CD2' ' A' ' 23' ' ' PHE . 14.6 t -41.86 153.49 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -85.58 43.02 1.0 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -148.35 -71.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.534 ' O ' ' CD1' ' A' ' 23' ' ' PHE . 1.3 p90 -99.43 127.08 45.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.923 0.392 . . . . 0.0 110.85 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.685 ' HA ' HD22 ' A' ' 19' ' ' LEU . . . -99.98 162.91 12.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.4 ' H ' ' CD2' ' A' ' 19' ' ' LEU . 1.5 m -135.14 165.07 31.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.079 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.2 mt -109.32 122.19 46.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -108.98 118.76 37.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.828 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.456 ' CD1' ' C ' ' A' ' 28' ' ' TRP . 1.7 p90 -129.57 154.17 47.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -97.12 129.37 32.4 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.648 0.737 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.62 122.43 9.15 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.367 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 32' ' ' GLN . 54.1 Cg_endo -69.67 160.65 48.91 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.696 2.264 . . . . 0.0 112.349 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 31' ' ' PRO . 51.1 tp60 -34.09 -54.87 0.5 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.544 ' ND2' ' CZ ' ' A' ' 80' ' ' ARG . 2.0 t30 -96.67 122.28 57.49 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.599 0.714 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 143.99 52.33 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.713 2.275 . . . . 0.0 112.261 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.9 m -92.11 -174.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -101.37 -53.72 2.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.0 137.65 31.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.232 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.613 ' HB2' HG23 ' A' ' 54' ' ' THR . 79.8 m-85 -95.53 129.44 42.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.872 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -97.01 105.72 17.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.2 mp -107.46 142.16 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.67 125.73 27.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.695 HG21 HD22 ' A' ' 63' ' ' LEU . 22.8 t -113.06 126.9 70.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.166 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.1 p -147.1 165.32 30.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.185 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.48 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -171.09 157.43 4.93 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.593 0.711 . . . . 0.0 111.077 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.48 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.2 Cg_endo -69.81 102.09 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.607 2.204 . . . . 0.0 112.346 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.1 31.49 7.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.46 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.22 151.26 51.21 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.597 0.713 . . . . 0.0 111.091 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 144.66 54.73 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.659 2.239 . . . . 0.0 112.337 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.75 148.33 64.9 Favored 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 122.673 2.249 . . . . 0.0 112.427 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.3 tp -135.33 132.5 37.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.844 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -127.05 133.55 50.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.698 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -150.49 162.02 41.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -139.96 159.41 42.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.613 HG23 ' HB2' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -149.6 146.17 20.33 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.583 0.706 . . . . 0.0 111.154 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 148.33 65.27 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.712 2.274 . . . . 0.0 112.372 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.56 -13.81 3.16 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.534 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.1 t -77.66 8.56 4.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.836 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.73 143.8 49.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.124 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.0 m -123.79 23.63 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -170.55 131.84 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.698 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 15.5 t80 -128.43 96.39 30.71 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.662 0.744 . . . . 0.0 110.957 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 61' ' ' TYR . 53.4 Cg_endo -69.81 128.15 15.57 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.697 2.265 . . . . 0.0 112.271 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.695 HD22 HG21 ' A' ' 42' ' ' VAL . 4.2 mt -102.33 136.16 42.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -122.19 173.54 7.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.812 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.4 t70 65.18 50.26 1.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.1 mt -114.18 141.04 48.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 81.7 t -81.82 130.51 35.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.722 HD22 ' H ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -70.46 177.49 3.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 45.56 35.42 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.2 m -141.84 146.46 35.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -92.22 105.32 17.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -97.3 129.88 44.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.8 m -105.05 127.29 52.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.161 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.459 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -115.51 152.06 33.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.028 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.3 m -140.1 110.8 6.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.585 HG12 ' HG3' ' A' ' 11' ' ' PRO . 49.6 t -99.16 141.89 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.154 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 44.7 mtm-85 -139.58 159.25 42.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.429 ' O ' HG23 ' A' ' 85' ' ' THR . . . -111.41 120.3 5.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.503 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -88.18 101.02 13.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.844 0.354 . . . . 0.0 110.956 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.544 ' CZ ' ' ND2' ' A' ' 33' ' ' ASN . 31.7 mtp180 -118.63 97.0 5.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 59.31 -150.71 36.87 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.411 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.64 3.64 2.6 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.735 2.29 . . . . 0.0 112.353 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -118.94 174.99 5.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.8 mt -128.64 165.27 21.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.949 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 78' ' ' GLY . 36.2 p -104.75 177.94 4.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 91.3 p -70.75 127.42 91.87 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.667 0.746 . . . . 0.0 110.851 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 145.6 57.62 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.336 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -135.06 115.47 13.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 74' ' ' ALA . 7.5 t -119.61 168.89 10.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.531 ' HB ' HD23 ' A' ' 14' ' ' LEU . 13.7 tt -157.41 155.92 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.141 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.424 ' N ' HG12 ' A' ' 90' ' ' ILE . 3.7 m -110.44 110.04 20.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.581 ' CE2' ' HB3' ' A' ' 24' ' ' ALA . 39.4 p90 -131.66 129.62 41.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.511 HG21 HD21 ' A' ' 96' ' ' LEU . 2.3 m -88.0 142.01 28.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.081 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.9 p -100.79 117.6 35.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 123.23 -69.04 0.46 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.483 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.511 HD21 HG21 ' A' ' 93' ' ' THR . 3.9 pp -76.25 5.17 7.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.751 0.31 . . . . 0.0 110.834 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 96' ' ' LEU . 58.6 mt-10 -37.06 -44.33 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.504 ' HB3' HD11 ' A' ' 102' ' ' LEU . . . -37.35 145.89 0.27 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.609 0.718 . . . . 0.0 111.065 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -163.91 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.331 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 42.5 mtt85 -75.61 57.65 0.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.7 p-10 -132.2 8.53 4.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.504 HD11 ' HB3' ' A' ' 98' ' ' ALA . 45.7 mt -87.27 117.41 26.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.945 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 44.22 51.65 7.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -109.37 154.02 23.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 39.6 mmtt -120.83 121.51 38.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.95 157.78 16.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 97.0 t -118.5 101.81 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.8 t -72.47 141.7 83.26 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.617 0.722 . . . . 0.0 111.128 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 161.57 45.44 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.669 2.246 . . . . 0.0 112.295 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.5 t -135.77 175.77 9.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -174.03 145.77 8.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.456 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 159.2 54.28 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.718 2.279 . . . . 0.0 112.304 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.8 t -146.78 133.01 19.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.814 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.9 m -167.78 167.85 12.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.894 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.413 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -100.41 152.75 19.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 0.0 110.836 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -57.57 110.27 0.85 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.819 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.58 150.44 17.37 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t 72.05 44.02 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.928 0.394 . . . . 0.0 110.905 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.3 p -121.45 118.68 29.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.836 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.9 84.52 0.31 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.424 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.622 ' HG3' HG21 ' A' ' 12' ' ' THR . 54.4 Cg_endo -69.74 -166.99 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.712 2.275 . . . . 0.0 112.371 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -92.69 -26.11 17.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.417 ' N ' ' HB ' ' A' ' 85' ' ' THR . . . -107.08 -179.31 22.6 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.462 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 135.3 30.08 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.622 HG21 ' HG3' ' A' ' 8' ' ' PRO . 2.0 p -135.73 -179.99 5.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.179 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 48.6 41.47 17.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 28' ' ' TRP . 7.4 tp -58.93 132.16 53.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.427 ' NH1' ' HB3' ' A' ' 15' ' ' ARG . 1.1 ptp180 -121.33 166.72 13.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -127.93 106.2 8.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.932 HD23 ' N ' ' A' ' 18' ' ' ASN . 5.7 tt -76.91 165.44 24.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.932 ' N ' HD23 ' A' ' 17' ' ' LEU . 2.1 m120 -71.12 114.13 8.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.719 ' H ' HD22 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -73.62 136.06 43.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.5 t -131.66 138.52 48.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.225 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 68.32 29.08 6.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.21 53.99 35.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.574 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 62' ' ' PRO . 1.7 t80 -134.92 107.96 7.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.85 0.357 . . . . 0.0 110.825 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.436 ' HA ' HD12 ' A' ' 19' ' ' LEU . . . -100.12 127.77 46.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.096 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.407 HG12 ' HB3' ' A' ' 62' ' ' PRO . 1.3 m -134.47 156.71 40.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.128 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.446 HD11 HD11 ' A' ' 63' ' ' LEU . 20.1 mt -105.55 142.49 35.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -123.79 119.72 30.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.48 ' CE3' HG11 ' A' ' 76' ' ' VAL . 1.9 p90 -129.25 153.95 47.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -91.2 120.53 68.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.535 0.684 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.84 119.92 6.78 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.62 2.213 . . . . 0.0 112.384 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 32' ' ' GLN . 54.6 Cg_endo -69.69 154.89 67.47 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.687 2.258 . . . . 0.0 112.325 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 31' ' ' PRO . 55.3 tt0 -35.04 -40.92 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.518 ' ND2' HH11 ' A' ' 80' ' ' ARG . 1.0 OUTLIER -106.74 103.68 47.96 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.57 0.7 . . . . 0.0 110.882 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.442 ' HD2' ' HA ' ' A' ' 33' ' ' ASN . 54.7 Cg_endo -69.71 121.19 7.89 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.732 2.288 . . . . 0.0 112.366 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.597 HG12 ' HG3' ' A' ' 80' ' ' ARG . 23.5 m -61.42 -175.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.128 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -96.11 -48.09 5.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.422 ' HB ' ' CD ' ' A' ' 53' ' ' GLU . 4.0 p -141.2 136.74 32.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.548 ' HB2' HG23 ' A' ' 54' ' ' THR . 64.3 m-85 -97.68 126.85 43.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -98.37 106.21 18.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.685 HG13 HG13 ' A' ' 76' ' ' VAL . 5.3 mp -106.6 139.37 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.115 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -131.08 120.51 23.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.686 HG21 HD22 ' A' ' 63' ' ' LEU . 93.2 t -108.84 133.24 54.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 76.1 p -145.11 166.94 23.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.173 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.831 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -161.01 162.67 22.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.534 0.683 . . . . 0.0 111.184 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.658 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.7 Cg_endo -69.79 86.66 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.717 2.278 . . . . 0.0 112.27 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 112.85 -33.62 5.52 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.537 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.831 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -71.62 152.38 93.65 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.599 0.714 . . . . 0.0 111.106 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 150.18 67.88 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.618 2.212 . . . . 0.0 112.312 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 145.99 58.6 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.347 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.3 tp -128.65 132.12 48.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -123.78 123.36 40.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.625 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -135.87 168.87 18.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.422 ' CD ' ' HB ' ' A' ' 37' ' ' THR . 1.2 tm-20 -150.06 153.37 36.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.548 HG23 ' HB2' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -150.41 146.22 19.58 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.635 0.731 . . . . 0.0 111.097 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 147.77 63.42 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.643 2.229 . . . . 0.0 112.302 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -52.44 -15.93 3.2 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.449 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.4 p -72.79 0.9 9.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.915 0.388 . . . . 0.0 110.837 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -115.37 146.12 41.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.065 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.8 m -121.82 20.21 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.065 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -170.15 142.05 2.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.625 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 29.3 t80 -133.57 99.49 14.24 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.63 0.729 . . . . 0.0 110.949 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 23' ' ' PHE . 53.8 Cg_endo -69.73 107.93 1.96 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.686 HD22 HG21 ' A' ' 42' ' ' VAL . 5.0 mt -81.66 131.43 35.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.491 ' CD2' ' CE1' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -116.25 170.65 8.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.869 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.9 t70 68.05 52.81 0.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.803 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.581 ' HB3' HG21 ' A' ' 94' ' ' THR . 75.6 mt -116.62 128.41 55.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 72.7 t -65.41 130.76 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.76 HD22 ' H ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -70.64 174.69 5.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 13.0 m170 44.52 32.92 0.81 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 78.6 m -145.39 142.81 29.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.078 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -85.46 127.3 34.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -114.59 125.79 54.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.9 m -96.71 126.35 41.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.162 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -115.54 145.99 42.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.9 m -133.7 106.02 7.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.685 HG13 HG13 ' A' ' 40' ' ' ILE . 15.8 t -93.26 144.8 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.159 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 33.3 mtm-85 -140.27 172.5 12.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.496 ' O ' HD23 ' A' ' 84' ' ' LEU . . . -125.26 129.79 7.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -98.08 101.73 13.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.361 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.597 ' HG3' HG12 ' A' ' 35' ' ' VAL . 23.4 mtp180 -121.43 95.1 4.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 63.33 -152.11 47.63 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 3.45 2.81 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.27 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -121.27 173.92 7.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.496 HD23 ' O ' ' A' ' 78' ' ' GLY . 9.8 mt -128.57 161.57 29.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.417 ' HB ' ' N ' ' A' ' 10' ' ' GLY . 27.8 p -99.6 177.83 5.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.202 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 73.9 m -70.09 129.83 90.34 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.612 0.72 . . . . 0.0 110.802 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 159.58 52.87 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.692 2.261 . . . . 0.0 112.327 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -147.12 115.44 6.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.136 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 74' ' ' ALA . 4.1 t -122.47 166.22 15.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 20.6 tt -158.36 159.89 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.5 m -107.0 123.06 47.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.112 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 92' ' ' PHE . 8.7 p90 -142.6 149.13 38.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.3 m -97.78 147.04 24.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.177 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.581 HG21 ' HB3' ' A' ' 66' ' ' LEU . 3.2 p -98.79 168.9 9.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 39.94 41.66 2.01 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.536 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 16.2 tp -78.96 61.82 3.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.747 0.308 . . . . 0.0 110.852 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -138.2 134.96 35.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -159.24 143.69 11.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.554 0.692 . . . . 0.0 111.15 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 -7.69 21.72 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.703 2.269 . . . . 0.0 112.236 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 51.5 mtp180 -124.91 144.01 50.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.4 106.24 0.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.8 mt -46.24 -39.46 9.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -80.98 173.83 12.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.828 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -114.82 138.45 50.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.085 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -84.05 124.03 30.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -59.67 110.97 1.26 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.944 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.528 ' O ' HG23 ' A' ' 107' ' ' VAL . 34.7 m -74.95 118.43 20.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.115 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 32.6 p -96.74 143.49 26.21 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.535 0.684 . . . . 0.0 111.127 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 144.28 53.79 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 17.7 m -125.24 105.33 9.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -54.53 144.18 30.19 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.509 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 156.75 62.54 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.691 2.26 . . . . 0.0 112.327 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.7 t -130.61 151.87 50.61 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.802 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.8 t -159.6 174.28 14.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.837 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.544 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.3 p 39.96 40.23 0.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.875 0.369 . . . . 0.0 110.779 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.4 m -148.18 130.92 16.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.71 -155.25 6.71 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.515 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t -55.82 -176.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.882 0.372 . . . . 0.0 110.882 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.3 p -100.89 63.9 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.4 74.17 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.509 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.41 ' HG3' HG21 ' A' ' 12' ' ' THR . 53.7 Cg_endo -69.75 -165.15 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.637 2.225 . . . . 0.0 112.375 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.521 ' HB2' HG22 ' A' ' 85' ' ' THR . 1.8 m-20 -102.52 -15.07 16.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.9 -179.62 17.27 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.541 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.447 ' HG3' HG12 ' A' ' 76' ' ' VAL . 54.3 Cg_endo -69.72 138.3 37.62 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.256 . . . . 0.0 112.334 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.41 HG21 ' HG3' ' A' ' 8' ' ' PRO . 7.8 p -141.98 177.46 8.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 52.6 45.22 29.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.507 HD23 ' CG2' ' A' ' 90' ' ' ILE . 5.3 tp -67.24 131.03 44.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.402 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 68.6 ttt180 -128.25 157.14 41.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.402 ' N ' ' HG2' ' A' ' 15' ' ' ARG . . . -102.38 105.76 16.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.509 HD21 HG22 ' A' ' 25' ' ' VAL . 1.3 pt? -80.82 171.07 15.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -72.15 130.36 40.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.5 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -63.99 160.29 18.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.951 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.407 ' O ' HG23 ' A' ' 20' ' ' THR . 3.7 t -131.52 117.28 18.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 49.66 48.43 21.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.23 34.48 89.66 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.524 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.447 ' CZ ' ' HB2' ' A' ' 62' ' ' PRO . 3.2 t80 -124.76 108.09 11.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.362 . . . . 0.0 110.924 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.91 126.88 44.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.061 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.509 HG22 HD21 ' A' ' 17' ' ' LEU . 1.8 m -130.03 157.16 42.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.5 mt -92.08 154.37 18.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -136.04 118.91 16.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.768 ' CE3' HG11 ' A' ' 76' ' ' VAL . 1.9 p90 -129.26 153.89 47.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -92.97 123.96 59.71 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.533 0.682 . . . . 0.0 110.971 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 127.98 15.39 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.87 173.84 10.49 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.712 2.275 . . . . 0.0 112.302 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -50.42 -42.25 53.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -108.69 127.58 27.14 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.632 0.73 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 131.09 20.49 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.758 2.305 . . . . 0.0 112.358 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.739 HG21 ' CE1' ' A' ' 38' ' ' TYR . 8.2 m -78.88 -178.07 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -91.17 -60.07 1.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.2 p -140.5 143.14 35.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.739 ' CE1' HG21 ' A' ' 35' ' ' VAL . 79.6 m-85 -99.16 127.28 45.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -95.49 105.14 17.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.679 HD13 ' HB3' ' A' ' 61' ' ' TYR . 17.2 mt -106.82 122.41 60.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.05 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.456 ' NE2' ' HB ' ' A' ' 75' ' ' THR . 0.2 OUTLIER -112.63 120.64 42.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.986 HG21 HD22 ' A' ' 63' ' ' LEU . 60.3 t -113.54 116.52 52.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.036 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.4 p -142.46 171.36 14.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.186 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.547 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -172.06 159.44 4.41 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.599 0.714 . . . . 0.0 111.11 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.547 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.6 Cg_endo -69.79 102.95 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.63 -25.64 23.74 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.408 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.487 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -91.64 151.87 42.81 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.607 0.718 . . . . 0.0 111.062 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 146.76 60.68 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.701 2.268 . . . . 0.0 112.335 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 146.72 61.16 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.775 2.317 . . . . 0.0 112.31 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.9 tp -135.18 128.6 32.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -123.11 128.59 50.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.52 168.88 18.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -150.14 153.63 36.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.487 HG23 ' HB2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -149.75 151.19 32.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.598 0.713 . . . . 0.0 111.194 -179.911 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 148.09 64.61 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.638 2.225 . . . . 0.0 112.365 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.541 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -49.78 -33.01 18.79 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 91.0 p -52.29 -16.96 0.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.839 0.352 . . . . 0.0 110.841 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -92.79 154.66 18.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.064 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.3 m -125.16 9.78 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.048 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -171.06 155.42 4.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.679 ' HB3' HD13 ' A' ' 40' ' ' ILE . 29.0 t80 -139.86 114.37 7.83 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.692 0.758 . . . . 0.0 110.881 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.447 ' HB2' ' CZ ' ' A' ' 23' ' ' PHE . 53.3 Cg_endo -69.77 150.3 67.99 Favored 'Trans proline' 0 N--CA 1.465 -0.192 0 C-N-CA 122.714 2.276 . . . . 0.0 112.367 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.986 HD22 HG21 ' A' ' 42' ' ' VAL . 9.8 mt -131.52 133.28 44.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.535 ' C ' HD12 ' A' ' 66' ' ' LEU . 8.2 p80 -129.17 175.54 8.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 t70 72.47 30.44 1.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.576 HD23 ' CG ' ' A' ' 72' ' ' TYR . 5.9 mp -100.8 141.35 33.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.0 t -75.4 120.41 25.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.597 HD13 ' O ' ' A' ' 94' ' ' THR . 0.5 OUTLIER -40.99 -74.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -73.16 68.35 0.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.5 m -166.14 129.17 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -83.42 117.19 22.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.576 ' CG ' HD23 ' A' ' 66' ' ' LEU . 61.7 m-85 -105.81 122.59 46.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.4 m -94.8 122.2 37.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.068 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -105.29 148.37 27.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.456 ' HB ' ' NE2' ' A' ' 41' ' ' GLN . 2.7 m -132.79 103.19 5.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.768 HG11 ' CE3' ' A' ' 28' ' ' TRP . 10.6 t -93.64 137.09 23.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.6 mtt180 -138.48 169.37 17.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.815 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.492 ' O ' HG23 ' A' ' 85' ' ' THR . . . -122.05 117.4 3.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.414 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -85.33 103.77 14.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.361 . . . . 0.0 110.828 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.711 ' HG3' HG12 ' A' ' 35' ' ' VAL . 22.7 mtp180 -122.07 97.27 5.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 59.97 -152.07 36.85 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.465 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 3.77 2.58 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.728 2.285 . . . . 0.0 112.304 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -118.32 175.94 5.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.3 mt -128.91 162.47 27.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.521 HG22 ' HB2' ' A' ' 9' ' ' ASP . 31.4 p -103.37 173.88 6.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 91.9 p -67.46 121.06 77.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.56 0.695 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 150.89 69.23 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.713 2.276 . . . . 0.0 112.399 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.27 115.78 14.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.08 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 27.2 t -115.25 156.53 25.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.507 ' CG2' HD23 ' A' ' 14' ' ' LEU . 21.5 tt -152.01 153.44 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.8 m -107.85 112.34 24.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -131.23 129.45 41.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.442 HG22 ' H ' ' A' ' 95' ' ' GLY . 7.5 m -85.06 143.91 28.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.107 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.597 ' O ' HD13 ' A' ' 68' ' ' LEU . 8.4 p -98.73 23.72 8.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.442 ' H ' HG22 ' A' ' 93' ' ' THR . . . -147.67 49.86 0.6 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.415 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 98' ' ' ALA . 1.3 pt? -105.42 20.87 18.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.721 0.296 . . . . 0.0 110.879 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -42.64 91.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.788 ' HB1' ' HD2' ' A' ' 99' ' ' PRO . . . -172.77 167.71 2.91 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.61 0.719 . . . . 0.0 111.071 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.788 ' HD2' ' HB1' ' A' ' 98' ' ' ALA . 54.1 Cg_endo -69.72 178.74 4.24 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.656 2.237 . . . . 0.0 112.397 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -44.88 146.63 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.825 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 41.92 28.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.461 ' HG ' ' HB3' ' A' ' 98' ' ' ALA . 5.8 mp 39.18 45.8 1.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 104' ' ' ALA . 18.8 mt-10 -109.54 105.27 14.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.815 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . -35.64 -75.34 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.038 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.73 154.23 1.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 37.2 43.59 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.426 HG13 ' N ' ' A' ' 108' ' ' THR . 7.3 p -57.85 -41.78 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.426 ' N ' HG13 ' A' ' 107' ' ' VAL . 69.9 p -126.24 81.86 66.5 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.544 0.688 . . . . 0.0 111.17 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 143.03 49.4 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.679 2.253 . . . . 0.0 112.376 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 111' ' ' GLY . 92.3 p -100.54 45.21 0.98 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 110' ' ' SER . . . 36.9 84.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 175.85 7.59 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.739 2.293 . . . . 0.0 112.339 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 71.0 p -147.53 172.11 14.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.2 t -111.92 133.52 54.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.436 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.1 t -74.31 105.24 5.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.896 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.6 m -63.1 159.51 17.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.94 51.29 0.6 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.443 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.4 p -53.82 120.55 6.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.914 0.388 . . . . 0.0 110.826 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m 62.76 41.26 9.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.886 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.74 147.37 12.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.448 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -166.22 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.645 2.23 . . . . 0.0 112.331 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.438 ' OD2' ' NH1' ' A' ' 80' ' ' ARG . 31.5 t70 -132.08 20.86 4.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.807 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -131.26 -165.36 11.43 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.513 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 128.57 16.23 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.754 2.303 . . . . 0.0 112.335 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.8 p -135.33 171.61 14.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 62.9 33.19 15.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.622 HD23 ' HB ' ' A' ' 90' ' ' ILE . 7.5 tp -58.79 115.53 3.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.5 ttt85 -127.73 159.91 33.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -127.27 105.89 8.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.0 tp -78.79 167.81 20.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -70.69 88.7 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.976 HD11 ' HA ' ' A' ' 24' ' ' ALA . 0.5 OUTLIER -104.27 174.41 5.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.816 HG21 ' CD2' ' A' ' 23' ' ' PHE . 12.0 t -33.88 146.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.68 30.01 1.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -126.08 -45.48 0.23 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.816 ' CD2' HG21 ' A' ' 20' ' ' THR . 4.9 p90 -133.0 120.98 22.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.902 0.382 . . . . 0.0 110.871 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.976 ' HA ' HD11 ' A' ' 19' ' ' LEU . . . -93.69 157.02 16.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.184 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.519 HG12 ' HA ' ' A' ' 62' ' ' PRO . 1.3 m -135.33 164.11 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.447 HD22 HD21 ' A' ' 14' ' ' LEU . 41.1 mt -103.38 129.08 50.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.524 ' O ' HD12 ' A' ' 14' ' ' LEU . 2.9 t-80 -113.77 118.73 35.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.613 ' CZ2' ' CD2' ' A' ' 38' ' ' TYR . 1.6 p90 -129.46 154.22 47.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.5 mttm -95.44 126.77 44.53 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.637 0.732 . . . . 0.0 110.838 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.74 124.23 10.89 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.693 2.262 . . . . 0.0 112.304 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.457 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.6 Cg_endo -69.81 167.15 25.33 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.64 2.227 . . . . 0.0 112.304 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 31' ' ' PRO . 37.2 tp60 -34.09 -45.61 0.21 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.54 122.55 30.74 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.644 0.735 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 115.29 4.02 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.671 2.247 . . . . 0.0 112.289 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.846 HG12 ' HG2' ' A' ' 80' ' ' ARG . 18.8 m -56.49 178.05 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.73 -56.83 3.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 p -141.23 151.99 44.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.083 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.613 ' CD2' ' CZ2' ' A' ' 28' ' ' TRP . 66.6 m-85 -107.38 131.5 54.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -96.95 108.85 21.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mp -105.88 132.89 51.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.184 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -129.91 117.41 20.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.796 HG21 HD22 ' A' ' 63' ' ' LEU . 24.9 t -110.02 132.32 58.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 46.0 p -145.36 171.91 13.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.837 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -169.35 156.3 6.5 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.564 0.697 . . . . 0.0 111.086 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.427 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 54.1 Cg_endo -69.73 84.4 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.713 2.275 . . . . 0.0 112.342 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 119.12 -26.33 7.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.525 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.837 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -83.12 152.51 65.28 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.538 0.685 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 148.23 64.16 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.666 2.244 . . . . 0.0 112.266 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 146.04 58.84 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 51' ' ' GLN . 3.6 tp -132.81 131.18 40.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.519 ' N ' HD12 ' A' ' 50' ' ' LEU . 39.9 tt0 -125.86 142.36 51.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.448 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -161.35 167.68 25.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -144.32 154.48 43.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.46 HG23 ' HB2' ' A' ' 38' ' ' TYR . 0.6 OUTLIER -147.48 146.76 25.86 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.548 0.69 . . . . 0.0 111.196 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 147.41 62.08 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.64 2.226 . . . . 0.0 112.315 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 58' ' ' ALA . . . -47.19 -42.26 16.79 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.446 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.4 m -42.54 -24.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 0.0 110.779 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 56' ' ' GLY . . . -90.32 148.22 23.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.4 m -125.09 17.91 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.151 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -169.49 148.14 3.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.448 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 31.9 t80 -134.64 103.18 11.2 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.712 0.768 . . . . 0.0 110.893 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.519 ' HA ' HG12 ' A' ' 25' ' ' VAL . 53.1 Cg_endo -69.79 117.43 5.08 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.339 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.796 HD22 HG21 ' A' ' 42' ' ' VAL . 5.9 mt -93.63 127.67 39.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -118.16 170.96 8.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.846 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.4 t70 66.36 48.52 1.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.8 mt -115.97 146.27 42.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 88.8 t -77.71 119.69 26.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.1 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.713 ' N ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -63.22 161.03 14.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.968 179.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 9.5 m170 54.96 40.63 32.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 74.7 m -140.94 143.52 34.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 62.0 t-20 -86.25 108.45 18.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.95 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.625 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 33.4 m-85 -107.83 132.89 52.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.041 0.448 . . . . 0.0 110.898 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 33.0 m -106.67 120.59 42.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.415 ' HB3' HD21 ' A' ' 26' ' ' LEU . . . -112.0 150.66 30.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.126 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.7 m -134.91 119.71 18.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.18 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.557 HG11 ' CE3' ' A' ' 28' ' ' TRP . 39.8 t -109.69 135.51 48.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.9 mtt180 -130.4 159.96 35.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -108.24 126.19 8.15 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.413 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -92.82 99.91 12.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.846 ' HG2' HG12 ' A' ' 35' ' ' VAL . 43.7 mmm-85 -116.63 95.0 4.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.32 -151.35 50.29 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.524 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 3.62 2.65 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.7 2.267 . . . . 0.0 112.302 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -122.39 176.07 6.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.1 mt -128.07 164.03 23.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 42.9 p -102.08 178.04 4.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.5 p -67.01 130.33 93.9 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.642 0.734 . . . . 0.0 110.939 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 146.44 60.46 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.634 2.223 . . . . 0.0 112.368 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.25 115.53 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.7 t -117.94 158.83 24.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.78 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.622 ' HB ' HD23 ' A' ' 14' ' ' LEU . 14.6 tt -145.45 157.11 13.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.139 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.462 ' N ' HG12 ' A' ' 90' ' ' ILE . 9.2 m -112.08 110.4 20.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.108 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.638 ' HE2' ' HB3' ' A' ' 24' ' ' ALA . 4.0 p90 -126.48 143.65 51.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.4 m -101.5 123.51 45.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.187 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 69.9 p -84.39 131.38 34.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.179 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.46 -48.11 3.33 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 14.4 tp -83.52 41.55 0.79 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.753 0.311 . . . . 0.0 110.905 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -149.14 119.12 7.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.824 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -154.57 142.56 14.17 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.554 0.693 . . . . 0.0 111.079 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -9.9 27.24 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.668 2.245 . . . . 0.0 112.312 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -123.0 177.01 5.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -62.46 130.27 44.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.3 mt -63.53 -54.43 36.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.83 96.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -97.09 110.92 23.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.124 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -74.07 141.93 45.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -152.4 105.74 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 29.4 m -113.72 137.87 45.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.193 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 38.1 p -105.69 142.52 24.95 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.605 0.717 . . . . 0.0 111.137 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -175.06 1.04 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.661 2.241 . . . . 0.0 112.33 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.6 t -158.39 136.82 10.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -46.52 148.87 2.33 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.418 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -179.87 3.22 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.368 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.4 t -105.72 179.49 4.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 115' ' ' GLY . 91.5 p -100.05 174.85 5.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.83 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 114' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.262 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.467 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -132.94 140.15 47.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.902 0.382 . . . . 0.0 110.874 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.9 p -102.73 171.95 7.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.15 55.17 5.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.468 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 t -107.99 43.16 1.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.899 0.381 . . . . 0.0 110.842 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -99.07 -53.47 3.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.21 161.13 0.2 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.466 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -169.31 0.32 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.66 2.24 . . . . 0.0 112.36 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -119.32 8.66 11.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -109.77 -156.65 16.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.455 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.439 ' HG3' HG12 ' A' ' 76' ' ' VAL . 54.2 Cg_endo -69.74 127.25 14.34 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.619 2.213 . . . . 0.0 112.387 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -133.82 162.1 32.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 67.81 35.06 4.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.433 ' CD1' ' HB3' ' A' ' 28' ' ' TRP . 6.3 tp -59.16 123.37 16.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.2 ttm-85 -131.21 159.53 37.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -101.8 105.24 16.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.754 ' O ' HD13 ' A' ' 19' ' ' LEU . 11.3 tp -78.29 168.49 19.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -85.66 85.43 7.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.754 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -101.96 172.46 6.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.962 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.49 HG22 ' H ' ' A' ' 22' ' ' GLY . 9.4 m -39.13 121.65 1.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -42.27 -23.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.49 ' H ' HG22 ' A' ' 20' ' ' THR . . . -100.01 -50.69 1.33 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.448 ' CE1' ' HB2' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -82.36 108.55 15.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.915 0.388 . . . . 0.0 110.843 -179.82 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.24 137.7 36.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.09 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -133.87 163.65 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.587 HD21 ' HB3' ' A' ' 74' ' ' ALA . 13.0 mt -105.42 147.44 28.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -127.71 118.78 24.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.76 ' CE3' HG11 ' A' ' 76' ' ' VAL . 1.7 p90 -129.28 152.83 48.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -94.37 123.03 59.86 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.57 0.7 . . . . 0.0 110.903 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 121.44 8.11 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.635 2.223 . . . . 0.0 112.311 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.0 Cg_endo -69.8 162.27 42.73 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 31' ' ' PRO . 35.2 tt0 -34.61 -54.86 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -96.24 120.58 62.33 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.667 0.746 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 114.09 3.59 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.676 2.251 . . . . 0.0 112.311 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.711 HG21 ' CE1' ' A' ' 38' ' ' TYR . 16.2 m -57.45 179.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -90.78 -55.3 3.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.887 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.87 154.81 46.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.104 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.711 ' CE1' HG21 ' A' ' 35' ' ' VAL . 65.5 m-85 -111.5 126.96 55.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -95.12 103.56 15.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mp -102.75 136.79 33.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.086 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -137.8 120.71 16.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.0 t -106.7 132.88 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.141 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 65.5 p -147.13 165.4 30.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.593 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -168.71 156.99 7.58 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.562 0.696 . . . . 0.0 111.15 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 54.3 Cg_endo -69.7 101.45 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.697 2.265 . . . . 0.0 112.358 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.6 19.32 35.23 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.418 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.593 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -127.22 153.58 76.89 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.568 0.699 . . . . 0.0 111.116 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.87 142.75 48.27 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.599 2.199 . . . . 0.0 112.289 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 146.34 59.56 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 51' ' ' GLN . 3.7 tp -135.14 129.29 33.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.522 ' N ' HD12 ' A' ' 50' ' ' LEU . 6.6 tm0? -126.69 148.95 49.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.94 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.715 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -168.42 157.61 9.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -132.48 154.25 50.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.566 HG23 ' HB2' ' A' ' 38' ' ' TYR . 0.8 OUTLIER -147.43 146.3 24.51 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.675 0.75 . . . . 0.0 111.123 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 143.91 52.33 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.671 2.247 . . . . 0.0 112.301 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.507 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -44.09 -44.35 7.45 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.452 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.3 m -37.88 -33.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.907 0.384 . . . . 0.0 110.86 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.67 146.43 29.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.0 m -119.72 16.99 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -170.18 147.62 3.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.715 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 38.3 t80 -133.68 99.94 13.83 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.685 0.755 . . . . 0.0 110.909 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.448 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 54.2 Cg_endo -69.7 127.52 14.76 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.703 2.268 . . . . 0.0 112.363 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.515 ' HB2' HD11 ' A' ' 66' ' ' LEU . 1.6 mt -107.33 136.07 47.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.966 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -117.54 179.47 4.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.5 t0 58.43 49.5 10.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.515 HD11 ' HB2' ' A' ' 63' ' ' LEU . 32.1 mt -113.27 120.52 41.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.017 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.2 t -56.41 135.44 19.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.154 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.772 HD22 ' H ' ' A' ' 68' ' ' LEU . 0.4 OUTLIER -79.69 163.18 24.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 54.21 40.7 31.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.826 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.2 m -146.3 138.73 25.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.457 ' ND2' HG23 ' A' ' 91' ' ' THR . 0.7 OUTLIER -77.54 121.1 23.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.465 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 10.7 m-85 -118.3 126.17 51.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.4 m -100.46 119.03 37.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.186 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.587 ' HB3' HD21 ' A' ' 26' ' ' LEU . . . -106.18 139.76 40.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.045 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 33.2 m -125.9 115.79 20.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.76 HG11 ' CE3' ' A' ' 28' ' ' TRP . 46.2 t -108.78 122.27 63.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.417 ' NE ' ' HB3' ' A' ' 87' ' ' PRO . 14.3 mtt85 -118.91 158.05 26.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.469 ' O ' HG23 ' A' ' 85' ' ' THR . . . -115.58 127.61 7.67 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.573 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.477 ' CD2' ' N ' ' A' ' 79' ' ' LEU . 0.6 OUTLIER -91.38 107.75 19.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.823 0.344 . . . . 0.0 110.874 -179.834 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.7 ' HG2' HG12 ' A' ' 35' ' ' VAL . 30.5 mmm-85 -121.98 96.12 4.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 58.15 -150.86 32.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.512 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 3.68 2.63 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.685 2.257 . . . . 0.0 112.397 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -120.07 169.2 10.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.414 HD21 HD13 ' A' ' 79' ' ' LEU . 12.8 mt -128.45 155.49 44.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 78' ' ' GLY . 1.4 p -97.99 174.01 6.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.9 m -66.87 132.68 93.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 0.0 110.89 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.417 ' HB3' ' NE ' ' A' ' 77' ' ' ARG . 53.7 Cg_endo -69.74 136.97 34.42 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.732 2.288 . . . . 0.0 112.359 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -102.84 114.53 28.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.081 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.4 p -116.57 153.31 32.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.792 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.456 HG12 ' N ' ' A' ' 91' ' ' THR . 15.8 tt -162.13 160.67 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.111 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.457 HG23 ' ND2' ' A' ' 71' ' ' ASN . 6.5 m -119.26 113.44 20.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -132.07 135.61 46.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.1 m -83.68 133.54 34.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.092 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.93 -55.55 5.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -107.31 53.85 0.59 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.445 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.851 ' O ' HD22 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -58.87 -12.76 4.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.79 0.328 . . . . 0.0 110.909 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.822 ' N ' HD13 ' A' ' 96' ' ' LEU . 4.9 tp10 -49.38 127.96 16.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -169.26 148.73 3.64 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.535 0.683 . . . . 0.0 111.162 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 1.49 4.45 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.67 2.247 . . . . 0.0 112.321 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.425 ' HB3' ' NH1' ' A' ' 100' ' ' ARG . 0.3 OUTLIER -120.62 167.59 12.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.942 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.12 127.07 32.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.87 -63.97 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -111.97 -40.89 4.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.03 170.32 1.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -162.71 174.14 12.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -110.19 116.62 31.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 57.9 t -145.83 131.16 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.09 142.77 29.75 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.626 0.727 . . . . 0.0 111.142 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -179.17 2.75 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.639 2.226 . . . . 0.0 112.394 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.3 m -150.52 131.87 14.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -103.52 145.44 16.19 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.551 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 -172.94 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.728 2.285 . . . . 0.0 112.333 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 59.9 p -151.09 176.07 11.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 57.7 p -68.48 173.7 4.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.792 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.502 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.367 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -154.42 146.4 23.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.94 0.4 . . . . 0.0 110.786 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.1 m -92.99 96.55 10.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.87 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.22 -72.89 0.11 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t 65.46 50.08 1.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.912 0.387 . . . . 0.0 110.836 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -61.66 -51.39 68.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.829 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.48 156.28 26.87 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.527 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.565 ' HD2' HG21 ' A' ' 12' ' ' THR . 53.5 Cg_endo -69.81 -166.16 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.668 2.245 . . . . 0.0 112.349 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 80' ' ' ARG . 28.2 m-20 -102.02 -6.97 22.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.61 -162.79 26.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.452 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.636 ' HG3' HG12 ' A' ' 76' ' ' VAL . 53.6 Cg_endo -69.74 132.64 23.8 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.706 2.271 . . . . 0.0 112.35 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.565 HG21 ' HD2' ' A' ' 8' ' ' PRO . 23.6 p -131.78 177.82 7.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.108 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 52.8 33.14 13.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.483 HD23 ' HB ' ' A' ' 90' ' ' ILE . 5.0 tp -60.86 121.75 13.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 19.5 ttm105 -133.43 166.57 22.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.415 ' N ' ' HG2' ' A' ' 15' ' ' ARG . . . -125.16 114.46 19.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.806 ' O ' HD13 ' A' ' 19' ' ' LEU . 12.6 mt -87.23 170.38 11.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -84.0 86.09 7.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.806 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -95.61 174.08 7.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.777 HG21 ' CE2' ' A' ' 23' ' ' PHE . 8.0 t -33.49 144.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -82.01 39.94 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -138.68 -40.82 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.474 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.777 ' CE2' HG21 ' A' ' 20' ' ' THR . 9.0 p90 -138.78 125.83 21.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.921 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.598 ' HB3' ' HE2' ' A' ' 92' ' ' PHE . . . -96.75 145.7 25.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.027 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.409 HG12 ' HA ' ' A' ' 62' ' ' PRO . 1.8 m -121.03 156.84 24.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.116 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.0 mt -95.06 143.99 26.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -128.23 118.86 24.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.57 ' CE3' HG11 ' A' ' 76' ' ' VAL . 1.8 p90 -129.22 153.36 47.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.951 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -94.19 127.61 44.05 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.568 0.699 . . . . 0.0 110.959 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.429 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 53.4 Cg_endo -69.85 115.54 4.15 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.23 . . . . 0.0 112.292 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.9 Cg_endo -69.79 149.32 66.51 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.624 2.216 . . . . 0.0 112.343 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 31' ' ' PRO . 19.0 tt0 -34.24 -46.57 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.92 109.93 28.59 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.671 0.748 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.64 122.68 9.39 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.725 2.283 . . . . 0.0 112.344 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.753 HG21 ' CE1' ' A' ' 38' ' ' TYR . 30.3 m -80.46 -176.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -97.7 -56.84 2.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.0 p -141.87 144.93 34.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.753 ' CE1' HG21 ' A' ' 35' ' ' VAL . 70.2 m-85 -101.37 129.82 47.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.96 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -95.58 115.03 26.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.586 HG12 HG22 ' A' ' 76' ' ' VAL . 19.8 mt -116.02 123.17 70.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -124.36 110.4 14.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.946 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.607 HG21 HD13 ' A' ' 63' ' ' LEU . 30.3 t -92.77 126.47 45.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.177 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.3 p -141.1 166.38 24.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.197 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.611 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -164.51 151.78 10.1 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.543 0.687 . . . . 0.0 111.094 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.61 81.26 0.79 Allowed 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.705 2.27 . . . . 0.0 112.402 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 123.52 7.34 6.92 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.496 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.611 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -127.2 152.06 75.41 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.529 0.681 . . . . 0.0 111.109 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 149.28 67.02 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.704 2.269 . . . . 0.0 112.304 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 150.47 68.25 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.731 2.287 . . . . 0.0 112.386 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.7 tp -132.97 129.0 37.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -95.31 151.75 18.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.483 ' HB1' ' CE1' ' A' ' 61' ' ' TYR . . . -167.49 133.97 2.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.172 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -139.54 151.56 46.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.422 ' OG1' ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -153.7 148.38 19.55 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.56 0.695 . . . . 0.0 111.15 -179.892 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 147.65 63.47 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.728 2.285 . . . . 0.0 112.295 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.547 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -43.32 -43.7 6.02 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.524 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.5 t -39.53 -34.68 0.24 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.847 0.356 . . . . 0.0 110.822 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.422 ' HB3' ' OG1' ' A' ' 54' ' ' THR . . . -81.98 153.22 26.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.058 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.1 m -125.14 12.98 4.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -170.7 154.99 4.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.483 ' CE1' ' HB1' ' A' ' 52' ' ' ALA . 35.6 t80 -138.45 104.94 7.73 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.611 0.72 . . . . 0.0 110.992 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 61' ' ' TYR . 53.7 Cg_endo -69.68 115.69 4.2 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.646 2.231 . . . . 0.0 112.428 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.607 HD13 HG21 ' A' ' 42' ' ' VAL . 8.4 mt -96.7 130.36 43.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.936 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -115.61 177.99 4.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 59.08 46.91 12.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 97.6 mt -110.71 128.71 55.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.1 t -59.04 132.18 23.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.068 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.484 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -71.89 175.84 5.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 68' ' ' LEU . 38.3 m-70 36.49 51.84 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.3 m -153.23 125.99 8.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.25 104.73 6.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.497 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 13.3 m-85 -97.59 125.84 42.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.3 m -94.48 119.77 33.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.168 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -109.76 148.31 31.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.07 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.9 m -131.65 111.8 12.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.217 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.636 HG12 ' HG3' ' A' ' 11' ' ' PRO . 42.2 t -101.98 121.91 53.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -114.29 178.61 4.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.619 ' O ' HD23 ' A' ' 84' ' ' LEU . . . -128.73 123.65 4.36 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.516 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -92.72 98.86 11.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.666 ' HD3' HG12 ' A' ' 35' ' ' VAL . 28.1 mtm180 -121.23 96.12 4.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 63.45 -152.23 47.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 3.5 2.76 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.748 2.299 . . . . 0.0 112.305 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -122.9 174.51 7.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 78' ' ' GLY . 4.7 mt -128.66 156.55 43.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.2 p -92.26 177.27 6.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.176 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 61.4 m -69.02 129.33 92.27 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.627 0.727 . . . . 0.0 110.836 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 147.0 62.29 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.639 2.226 . . . . 0.0 112.385 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.94 115.53 13.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.1 t -116.62 167.94 10.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.483 ' HB ' HD23 ' A' ' 14' ' ' LEU . 15.6 tt -159.01 158.36 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.193 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.472 ' N ' HG12 ' A' ' 90' ' ' ILE . 2.7 m -111.89 110.89 21.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.598 ' HE2' ' HB3' ' A' ' 24' ' ' ALA . 31.1 p90 -130.19 138.67 50.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 43.6 m -89.75 132.54 35.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.217 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 p -68.56 -48.25 64.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.124 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -110.1 88.84 0.53 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.626 ' HG ' HD12 ' A' ' 102' ' ' LEU . 5.5 tp -91.73 42.34 1.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.746 0.308 . . . . 0.0 110.944 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -134.71 103.07 5.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.671 ' HB1' ' HD2' ' A' ' 99' ' ' PRO . . . -169.02 162.9 7.76 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.606 0.717 . . . . 0.0 111.099 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.671 ' HD2' ' HB1' ' A' ' 98' ' ' ALA . 54.1 Cg_endo -69.69 2.4 3.53 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.726 2.284 . . . . 0.0 112.331 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -79.09 47.61 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.8 t70 53.96 50.3 17.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.626 HD12 ' HG ' ' A' ' 96' ' ' LEU . 2.8 mm? -89.42 90.77 8.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -72.97 173.79 8.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -172.05 120.47 0.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.059 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.73 136.17 2.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -79.24 166.03 22.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 28.5 m -106.95 159.33 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 12.4 t -71.54 141.09 84.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 111.129 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -177.63 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.725 2.284 . . . . 0.0 112.323 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 66.1 p -61.53 165.52 4.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -112.1 -157.42 13.7 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.493 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 151.17 68.83 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.653 2.235 . . . . 0.0 112.353 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 26.3 p -97.65 142.83 28.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 55.3 p -174.87 163.13 3.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.225 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 N-CA-C 112.562 -0.215 . . . . 0.0 112.562 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -87.01 145.39 26.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.863 0.363 . . . . 0.0 110.878 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.6 p -104.76 135.28 46.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.66 54.49 0.78 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.519 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -95.52 -55.1 3.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.844 0.354 . . . . 0.0 110.841 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.3 m -80.02 -67.26 0.78 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.2 83.65 0.15 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -167.36 0.22 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.302 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.42 ' HB3' ' NH1' ' A' ' 80' ' ' ARG . 3.7 m-20 -116.65 15.48 15.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -119.5 -174.27 15.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.472 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 137.13 34.69 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.698 2.265 . . . . 0.0 112.371 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 39.5 p -140.67 176.27 8.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.121 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 49.96 39.65 19.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.487 ' CD1' ' HB3' ' A' ' 28' ' ' TRP . 8.1 tp -58.91 127.32 31.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -123.39 178.07 5.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -130.14 110.18 11.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.529 ' CD2' ' NE2' ' A' ' 27' ' ' HIS . 4.1 pp -76.93 170.84 15.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.951 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -71.59 115.04 10.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.561 ' H ' HD22 ' A' ' 19' ' ' LEU . 2.1 mm? -65.12 160.03 22.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.8 t -164.42 145.07 8.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 58.61 36.59 25.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.74 48.81 42.96 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.481 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.507 ' CZ ' ' HB2' ' A' ' 62' ' ' PRO . 2.6 t80 -129.74 110.11 11.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.871 0.367 . . . . 0.0 110.917 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.09 123.06 43.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.157 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.4 ' CG1' ' HB3' ' A' ' 62' ' ' PRO . 1.9 m -131.1 165.03 32.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.45 HD11 HD11 ' A' ' 63' ' ' LEU . 13.7 mt -109.94 146.93 34.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.529 ' NE2' ' CD2' ' A' ' 17' ' ' LEU . 3.6 m170 -129.03 120.76 26.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.751 ' CE3' HG11 ' A' ' 76' ' ' VAL . 2.0 p90 -129.31 153.28 47.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -91.71 125.98 55.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 125.87 12.61 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.659 2.239 . . . . 0.0 112.398 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.9 Cg_endo -69.81 163.68 37.4 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.629 2.219 . . . . 0.0 112.365 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 31' ' ' PRO . 43.9 tt0 -34.5 -50.71 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.811 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -110.62 128.15 25.8 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.69 0.757 . . . . 0.0 110.837 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 151.34 69.02 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.712 2.275 . . . . 0.0 112.314 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.756 HG12 ' HG2' ' A' ' 80' ' ' ARG . 19.1 m -96.62 -177.78 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.96 -51.5 5.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.4 p -142.07 136.9 30.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.152 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.856 ' HB2' HG23 ' A' ' 54' ' ' THR . 94.1 m-85 -96.71 127.23 42.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -95.73 114.54 26.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.611 HG13 HG13 ' A' ' 76' ' ' VAL . 5.2 mp -117.2 136.71 53.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.232 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -132.36 127.86 36.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.865 HG21 HD13 ' A' ' 63' ' ' LEU . 90.4 t -117.78 139.07 46.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.096 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.8 p -144.55 166.48 25.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.501 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -166.84 153.68 8.3 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.634 0.731 . . . . 0.0 111.025 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 110.36 2.55 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.664 2.242 . . . . 0.0 112.362 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.52 9.67 62.76 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.516 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.501 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -125.69 151.91 71.4 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.534 0.683 . . . . 0.0 111.109 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.71 148.12 64.72 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.377 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 136.75 33.61 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.65 2.233 . . . . 0.0 112.349 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 tp -116.5 128.56 55.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -128.98 129.14 45.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.666 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -145.09 172.64 12.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -142.45 157.22 45.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.856 HG23 ' HB2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -144.77 150.44 46.6 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.61 0.719 . . . . 0.0 111.134 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 152.97 69.63 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.63 2.22 . . . . 0.0 112.38 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.7 -16.69 46.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.2 p -81.41 15.28 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 110.86 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.66 143.07 49.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.117 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.5 m -118.89 18.61 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -169.8 147.62 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.666 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 15.9 t80 -133.83 96.5 16.32 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.7 0.762 . . . . 0.0 110.92 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.507 ' HB2' ' CZ ' ' A' ' 23' ' ' PHE . 54.1 Cg_endo -69.71 112.3 3.03 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.657 2.238 . . . . 0.0 112.307 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.865 HD13 HG21 ' A' ' 42' ' ' VAL . 4.3 mt -96.31 133.22 40.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -118.11 173.02 7.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.805 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.9 t0 68.08 48.6 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.422 ' HB3' HG21 ' A' ' 94' ' ' THR . 90.8 mt -111.38 121.02 44.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.4 t -53.53 131.63 15.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.793 HD22 ' H ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -78.03 155.19 30.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.959 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 63.3 43.76 5.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.6 m -154.53 133.17 12.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -74.12 118.5 17.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.412 ' CD2' ' HB2' ' A' ' 44' ' ' ALA . 9.3 m-85 -114.11 116.89 29.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 57.7 m -91.19 119.96 31.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.413 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -108.22 138.03 45.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.9 m -123.2 111.94 17.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.214 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.751 HG11 ' CE3' ' A' ' 28' ' ' TRP . 21.4 t -99.89 142.75 14.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.149 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -139.65 179.39 6.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.956 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -134.21 129.43 5.24 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.446 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -93.03 104.72 16.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.749 0.309 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.756 ' HG2' HG12 ' A' ' 35' ' ' VAL . 22.0 mmm-85 -121.72 94.98 4.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.65 -152.82 50.03 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 3.49 2.74 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.742 2.294 . . . . 0.0 112.282 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -121.55 176.02 5.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.2 mt -122.29 165.99 15.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 70.4 p -103.66 177.06 4.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 31.2 p -69.76 127.38 92.6 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.719 0.771 . . . . 0.0 110.765 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 154.85 67.33 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.635 2.223 . . . . 0.0 112.341 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -147.32 115.59 6.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 74' ' ' ALA . 12.3 t -122.91 165.96 15.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 20.2 tt -155.34 157.49 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 7.4 m -106.19 120.95 43.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.097 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 22.2 p90 -143.47 133.3 23.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 35.0 m -83.17 142.2 31.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.422 HG21 ' HB3' ' A' ' 66' ' ' LEU . 8.9 p -84.43 169.63 14.35 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 52.2 38.43 48.73 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.406 HD12 HD21 ' A' ' 102' ' ' LEU . 10.0 tp -98.6 40.76 1.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.78 0.324 . . . . 0.0 110.932 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.455 ' C ' ' HD3' ' A' ' 99' ' ' PRO . 4.9 pt-20 -53.29 -174.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.58 ' HB1' ' HG3' ' A' ' 103' ' ' GLU . . . -107.0 70.97 0.27 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.603 0.716 . . . . 0.0 111.079 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.455 ' HD3' ' C ' ' A' ' 97' ' ' GLU . 53.8 Cg_endo -69.81 -163.6 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.655 2.236 . . . . 0.0 112.292 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -82.76 -18.28 41.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -91.63 -72.92 0.56 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.406 HD21 HD12 ' A' ' 96' ' ' LEU . 5.9 mp -46.34 -52.14 13.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.58 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.8 OUTLIER -74.27 102.7 4.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.51 153.18 22.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -148.35 130.34 15.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -84.23 173.94 10.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.8 p -140.11 145.37 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.41 ' HA ' ' HD2' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -111.37 101.85 51.64 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.601 0.715 . . . . 0.0 111.143 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 108' ' ' THR . 54.2 Cg_endo -69.73 97.17 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.704 2.27 . . . . 0.0 112.393 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.47 ' O ' ' C ' ' A' ' 111' ' ' GLY . 7.7 m -55.0 -33.03 62.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 110' ' ' SER . . . -32.64 96.2 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.435 ' N ' ' O ' ' A' ' 110' ' ' SER . 54.2 Cg_endo -69.75 -20.89 34.31 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.692 2.261 . . . . 0.0 112.373 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 31.5 m 50.17 48.44 22.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.8 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.4 p -75.85 150.58 37.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.839 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.486 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.423 -0.271 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -47.47 142.9 3.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.875 0.369 . . . . 0.0 110.819 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 p -163.24 119.78 1.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.64 56.29 0.57 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.455 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -149.82 137.93 20.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.899 0.38 . . . . 0.0 110.888 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -122.16 77.27 1.37 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.89 83.62 1.57 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -179.26 2.79 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.651 2.234 . . . . 0.0 112.282 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -121.73 18.11 11.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -124.36 -171.53 13.43 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.534 ' HG3' HG12 ' A' ' 76' ' ' VAL . 53.4 Cg_endo -69.77 128.86 16.62 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.63 2.22 . . . . 0.0 112.269 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.2 p -132.34 173.87 10.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.191 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 55.67 40.64 30.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.557 HD23 ' CG2' ' A' ' 90' ' ' ILE . 6.2 tp -62.39 127.88 33.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -122.43 162.71 21.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -126.43 105.59 8.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.051 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.488 HD12 ' N ' ' A' ' 17' ' ' LEU . 6.9 mp -82.17 171.12 14.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -70.79 106.84 3.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.74 HD13 ' H ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -82.24 174.25 11.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.922 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.587 ' CG2' ' CD2' ' A' ' 23' ' ' PHE . 4.9 t -75.61 50.75 0.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.506 ' N ' HD23 ' A' ' 19' ' ' LEU . 1.1 pm0 33.05 41.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -164.38 -56.63 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.6 ' O ' ' CD1' ' A' ' 23' ' ' PHE . 0.6 OUTLIER -120.23 120.51 36.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 0.0 110.807 -179.844 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.475 ' HB3' ' CE1' ' A' ' 92' ' ' PHE . . . -100.16 157.15 16.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.053 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -124.77 146.14 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.507 ' CD1' HD11 ' A' ' 63' ' ' LEU . 13.1 mt -91.32 111.8 23.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.021 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -102.62 118.9 37.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.574 ' CE3' HG11 ' A' ' 76' ' ' VAL . 1.9 p90 -129.42 153.99 47.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.1 tttt -88.05 122.51 69.93 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.6 0.714 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 118.82 5.91 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.623 2.215 . . . . 0.0 112.347 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 162.54 41.7 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.637 2.225 . . . . 0.0 112.368 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -47.61 -46.59 28.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.804 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -86.01 114.8 59.04 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.629 0.728 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 117.63 5.21 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.646 2.231 . . . . 0.0 112.359 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.594 ' CG2' ' CZ ' ' A' ' 38' ' ' TYR . 9.9 m -71.68 -176.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.045 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 56' ' ' GLY . 1.0 OUTLIER -103.45 -55.49 2.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.903 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 p -139.75 134.82 32.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.834 ' HB2' HG23 ' A' ' 54' ' ' THR . 82.1 m-85 -93.59 126.84 38.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -94.89 124.14 38.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.1 mp -123.75 139.17 51.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -133.29 114.14 13.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.471 ' HB ' ' CB ' ' A' ' 50' ' ' LEU . 1.2 t -113.92 107.18 22.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.114 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.9 p -128.62 155.58 44.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.664 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -151.19 162.69 26.06 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.513 0.673 . . . . 0.0 111.131 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.664 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.7 Cg_endo -69.73 95.02 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.613 2.208 . . . . 0.0 112.391 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 114.17 -36.2 4.11 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.452 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.466 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -77.44 157.04 80.79 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.638 0.732 . . . . 0.0 111.071 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.5 Cg_endo -69.67 158.68 56.24 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.722 2.281 . . . . 0.0 112.346 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 134.43 27.88 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.676 2.251 . . . . 0.0 112.335 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.504 ' CD1' ' C ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -102.71 117.89 35.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.487 ' N ' HD13 ' A' ' 50' ' ' LEU . 10.4 tt0 -126.04 119.68 28.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -157.49 160.23 38.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.068 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -136.83 162.4 33.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.834 HG23 ' HB2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -146.97 151.44 41.59 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.578 0.704 . . . . 0.0 111.126 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.6 155.44 66.44 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.724 2.282 . . . . 0.0 112.378 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 36' ' ' ASP . . . -61.37 -17.33 52.69 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.513 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.2 t -84.44 28.94 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.938 0.399 . . . . 0.0 110.872 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.44 132.78 41.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.174 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.7 m -116.11 22.74 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -171.17 131.24 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.41 ' HA ' ' HD2' ' A' ' 62' ' ' PRO . 14.3 t80 -127.52 96.4 33.2 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.689 0.757 . . . . 0.0 110.925 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 61' ' ' TYR . 54.2 Cg_endo -69.71 113.26 3.31 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.716 2.277 . . . . 0.0 112.322 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.507 HD11 ' CD1' ' A' ' 26' ' ' LEU . 5.0 mt -93.03 119.59 32.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -106.52 167.96 9.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.1 t70 72.9 51.15 0.15 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.836 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 97.1 mt -114.37 122.53 46.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.4 t -55.95 130.01 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.168 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -72.93 163.22 28.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 51.21 53.16 13.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.2 m -156.94 142.22 17.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.095 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -84.49 111.28 19.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -105.45 130.74 53.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.5 m -103.87 119.53 39.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.181 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -111.14 147.97 33.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 61.0 m -135.81 111.25 9.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.574 HG11 ' CE3' ' A' ' 28' ' ' TRP . 48.9 t -96.18 137.39 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.1 mtt180 -136.41 166.48 23.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -121.1 125.52 6.22 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -91.68 104.8 17.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.789 0.328 . . . . 0.0 110.843 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.56 ' HG3' HG12 ' A' ' 35' ' ' VAL . 44.7 mtp180 -122.07 94.54 4.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.53 -152.9 49.67 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.44 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 3.69 2.62 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.648 2.232 . . . . 0.0 112.38 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -119.56 175.88 5.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.4 mt -124.72 163.12 22.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 60.3 p -102.97 177.55 4.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.2 p -70.21 120.94 81.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.667 0.746 . . . . 0.0 110.871 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 155.15 66.44 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.663 2.242 . . . . 0.0 112.35 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -140.36 115.62 9.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.1 t -115.82 159.59 21.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.557 ' CG2' HD23 ' A' ' 14' ' ' LEU . 19.2 tt -157.04 160.58 2.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.437 ' N ' HG12 ' A' ' 90' ' ' ILE . 23.7 m -112.93 123.06 49.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.099 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.479 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 33.8 p90 -142.37 126.16 17.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.929 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 55.4 m -83.1 142.65 31.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.2 p -91.73 125.21 36.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.174 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . 116.56 -111.71 2.4 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.746 ' O ' HD12 ' A' ' 96' ' ' LEU . 4.2 pp 33.74 41.54 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.811 0.338 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.411 ' HB3' ' CB ' ' A' ' 21' ' ' GLU . 1.4 pm0 -54.93 -17.1 3.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -126.54 83.58 64.36 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.594 0.712 . . . . 0.0 111.166 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -0.07 6.39 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.701 2.267 . . . . 0.0 112.354 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 100' ' ' ARG . 3.3 mmm180 -75.48 -63.0 1.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -174.39 116.4 0.2 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.7 mt -79.7 136.72 36.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 104' ' ' ALA . 6.6 tp10 70.86 45.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . -34.46 141.02 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.148 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.6 mttp -43.07 153.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 107' ' ' VAL . 5.1 tt0 -160.53 178.12 9.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 106' ' ' GLU . 3.6 m -36.07 141.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.138 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.5 t -171.16 141.39 1.36 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.623 0.725 . . . . 0.0 111.068 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 110' ' ' SER . 54.9 Cg_endo -69.69 -167.61 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.698 2.265 . . . . 0.0 112.396 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 109' ' ' PRO . 1.5 t -37.6 115.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -41.61 144.46 0.79 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.464 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.81 -171.38 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.737 2.291 . . . . 0.0 112.321 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 18.1 m -84.03 127.18 33.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.7 m -95.68 165.24 12.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.505 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.1 m -98.97 90.18 4.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.353 . . . . 0.0 110.835 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.3 p -108.03 -54.76 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.67 -88.3 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.436 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 t -94.62 112.75 24.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.819 0.342 . . . . 0.0 110.913 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -126.29 132.72 51.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.28 177.64 17.84 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.425 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.404 ' CG ' HG21 ' A' ' 12' ' ' THR . 53.6 Cg_endo -69.75 -167.34 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.673 2.249 . . . . 0.0 112.359 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.13 2.32 12.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.07 -166.01 17.57 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.483 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 130.61 19.71 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.743 2.295 . . . . 0.0 112.284 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.404 HG21 ' CG ' ' A' ' 8' ' ' PRO . 20.8 p -135.13 179.52 6.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.2 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 53.01 36.26 21.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.444 HD23 ' CG2' ' A' ' 90' ' ' ILE . 5.4 tp -58.11 124.84 20.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.869 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' A' ' 16' ' ' ALA . 13.4 tpp180 -117.23 150.84 38.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.446 ' N ' ' HG3' ' A' ' 15' ' ' ARG . . . -106.3 104.94 14.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.475 ' CD1' ' HB2' ' A' ' 27' ' ' HIS . 5.3 mp -74.3 171.26 13.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -70.85 111.56 6.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.708 HD12 ' HA ' ' A' ' 24' ' ' ALA . 3.5 mm? -62.93 143.84 57.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.458 ' O ' ' C ' ' A' ' 21' ' ' GLU . 35.6 p -89.73 -174.61 4.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 20' ' ' THR . 29.3 tt0 -33.36 -63.47 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -149.96 55.65 0.48 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.442 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.508 ' CZ ' ' HB2' ' A' ' 62' ' ' PRO . 3.4 t80 -139.99 107.96 5.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.336 . . . . 0.0 110.851 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.708 ' HA ' HD12 ' A' ' 19' ' ' LEU . . . -100.21 124.96 46.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.031 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.424 HG12 ' HA ' ' A' ' 62' ' ' PRO . 1.4 m -135.06 164.37 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.5 mt -113.53 162.39 16.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.475 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 6.7 t-80 -142.84 119.98 11.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.783 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.665 ' CZ2' ' CD2' ' A' ' 38' ' ' TYR . 2.1 p90 -129.08 153.94 47.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -92.15 122.19 65.35 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.574 0.702 . . . . 0.0 110.908 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.44 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 54.4 Cg_endo -69.69 113.97 3.54 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.644 2.229 . . . . 0.0 112.373 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 32' ' ' GLN . 54.0 Cg_endo -69.77 152.65 69.29 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.682 2.255 . . . . 0.0 112.398 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 31' ' ' PRO . 2.9 tm0? -34.5 -39.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.404 ' HA ' ' HD2' ' A' ' 34' ' ' PRO . 0.5 OUTLIER -99.56 100.91 11.76 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.609 0.719 . . . . 0.0 110.916 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 33' ' ' ASN . 53.5 Cg_endo -69.74 111.37 2.79 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.863 HG12 ' HG3' ' A' ' 80' ' ' ARG . 27.6 m -60.64 -174.97 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.077 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -94.04 -56.4 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.3 p -140.36 141.18 35.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.665 ' CD2' ' CZ2' ' A' ' 28' ' ' TRP . 64.4 m-85 -96.25 129.72 43.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -97.08 106.42 18.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.439 HG13 HG13 ' A' ' 76' ' ' VAL . 5.3 mp -105.15 136.09 40.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -129.37 113.62 15.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.43 HG21 HD13 ' A' ' 63' ' ' LEU . 53.1 t -99.65 123.11 52.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.7 p -140.4 170.18 16.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.489 ' HB2' ' CD1' ' A' ' 72' ' ' TYR . . . -174.67 151.32 1.49 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.584 0.707 . . . . 0.0 111.072 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 84.89 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.709 2.272 . . . . 0.0 112.356 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 121.01 24.07 2.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.531 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.64 153.18 54.46 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.538 0.685 . . . . 0.0 111.035 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 146.98 61.56 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.638 2.226 . . . . 0.0 112.364 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 144.97 55.5 Favored 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.657 2.238 . . . . 0.0 112.333 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.446 HD12 ' N ' ' A' ' 51' ' ' GLN . 4.7 tp -129.28 130.06 45.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.969 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.446 ' N ' HD12 ' A' ' 50' ' ' LEU . 4.2 tp60 -122.51 130.92 53.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.548 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -148.06 168.25 22.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -146.09 159.42 43.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 t -157.5 145.66 14.18 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.574 0.702 . . . . 0.0 111.164 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 147.63 63.18 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.754 2.303 . . . . 0.0 112.37 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -47.96 -39.28 18.27 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.432 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 51.6 m -43.95 -25.05 0.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.819 0.342 . . . . 0.0 110.853 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.33 137.37 32.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.087 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.7 m -114.53 22.28 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -170.17 144.55 2.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.548 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 10.5 t80 -131.5 96.51 21.11 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.693 0.759 . . . . 0.0 110.932 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.508 ' HB2' ' CZ ' ' A' ' 23' ' ' PHE . 54.1 Cg_endo -69.69 106.26 1.62 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.72 2.28 . . . . 0.0 112.306 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.43 HD13 HG21 ' A' ' 42' ' ' VAL . 5.1 mt -89.25 131.94 35.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -116.64 171.18 8.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.9 t70 68.97 51.77 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.702 HD12 ' HB3' ' A' ' 24' ' ' ALA . 73.2 mt -115.31 127.98 55.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.5 t -60.64 134.08 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.767 HD22 ' H ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -81.33 152.71 27.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.5 m170 66.06 41.86 3.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 54.2 m -150.94 127.24 10.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -69.99 110.19 4.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.489 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 15.4 m-85 -104.92 130.78 53.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.4 m -102.24 119.69 39.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.206 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -109.21 138.66 45.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.062 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 38.5 m -127.48 119.69 26.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.521 HG11 ' CE3' ' A' ' 28' ' ' TRP . 21.3 t -106.46 136.28 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 38.1 mtm-85 -128.34 171.09 12.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -123.96 124.06 5.39 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.436 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -89.39 102.65 15.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.787 0.327 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.863 ' HG3' HG12 ' A' ' 35' ' ' VAL . 37.1 mtp180 -121.66 96.79 5.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 61.16 -151.92 41.49 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.462 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 3.58 2.69 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.699 2.266 . . . . 0.0 112.357 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -120.73 176.36 5.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.5 mt -128.78 157.94 40.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 45.6 p -93.89 177.71 5.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.14 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.4 m -71.24 127.73 91.09 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.731 0.777 . . . . 0.0 110.84 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 140.74 43.61 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.746 2.297 . . . . 0.0 112.322 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -128.74 115.76 18.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.3 t -119.43 160.16 22.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.444 ' CG2' HD23 ' A' ' 14' ' ' LEU . 21.2 tt -152.69 153.49 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.4 m -99.07 130.09 45.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.15 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.52 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 16.9 p90 -149.39 131.94 15.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.5 m -90.07 132.57 35.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 26.4 p -88.74 150.41 22.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.168 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 61.92 87.69 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.434 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.508 HD21 ' HB2' ' A' ' 19' ' ' LEU . 1.3 pt? -128.5 36.85 4.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.796 0.332 . . . . 0.0 110.951 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -46.45 111.92 0.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -167.25 119.77 0.76 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.618 0.723 . . . . 0.0 111.094 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -9.1 25.27 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.242 . . . . 0.0 112.37 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -130.61 -61.69 0.94 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -168.77 171.05 8.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.9 tp -76.55 -41.58 45.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -77.81 110.09 12.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -99.34 164.82 11.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 53.4 mttt -93.41 115.48 28.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -133.03 68.62 1.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 27.8 m -112.98 155.9 14.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.076 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 77.5 p -111.56 83.17 4.15 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.576 0.703 . . . . 0.0 111.181 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -31.05 21.38 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.672 2.248 . . . . 0.0 112.385 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 52.4 p -156.85 146.05 20.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -125.45 80.0 0.36 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 -178.65 2.41 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.729 2.286 . . . . 0.0 112.353 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 77.6 p -142.96 162.06 36.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.0 t -117.52 168.2 10.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.83 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.488 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.1 p -157.53 120.89 4.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.903 0.382 . . . . 0.0 110.82 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.3 t -83.6 96.64 8.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.894 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.92 -175.55 15.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.3 p -96.09 96.91 9.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.384 . . . . 0.0 110.862 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -126.84 128.84 47.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.931 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.15 170.76 13.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.465 ' HG2' ' CG2' ' A' ' 12' ' ' THR . 53.3 Cg_endo -69.82 175.82 7.64 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.625 2.217 . . . . 0.0 112.32 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -96.13 13.01 28.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -114.72 -167.09 15.54 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.535 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.574 ' HG3' HG12 ' A' ' 76' ' ' VAL . 54.2 Cg_endo -69.74 121.59 8.28 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.64 2.227 . . . . 0.0 112.381 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.465 ' CG2' ' HG2' ' A' ' 8' ' ' PRO . 47.4 p -124.26 165.12 18.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 56.6 39.98 29.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.465 HD12 ' HB3' ' A' ' 28' ' ' TRP . 9.2 tp -59.89 121.91 12.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -116.06 162.56 17.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.32 106.79 16.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.058 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.847 HD13 ' CE1' ' A' ' 27' ' ' HIS . 1.5 tp -71.18 169.82 14.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -70.64 129.47 39.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.746 ' H ' HD12 ' A' ' 19' ' ' LEU . 4.6 mp -62.91 162.4 11.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.967 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.5 m -116.32 98.84 6.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 44.96 32.69 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.89 35.12 3.07 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.455 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.409 ' CE1' ' O ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -138.9 107.7 5.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.799 0.333 . . . . 0.0 110.905 -179.838 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -97.14 148.14 23.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -134.99 164.68 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.509 HD11 HD11 ' A' ' 63' ' ' LEU . 21.0 mt -107.04 132.58 52.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.847 ' CE1' HD13 ' A' ' 17' ' ' LEU . 5.5 m170 -119.59 119.75 34.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.822 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.465 ' HB3' HD12 ' A' ' 14' ' ' LEU . 1.8 p90 -127.19 153.53 45.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -95.38 125.95 47.86 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.598 0.713 . . . . 0.0 110.855 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.405 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 52.6 Cg_endo -69.88 119.4 6.34 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.703 2.269 . . . . 0.0 112.308 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 30' ' ' PRO . 53.8 Cg_endo -69.76 161.36 46.24 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.629 2.22 . . . . 0.0 112.337 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.6 tp60 -38.31 -55.65 1.32 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.537 ' ND2' ' CZ ' ' A' ' 80' ' ' ARG . 0.3 OUTLIER -88.39 116.86 67.49 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.616 0.722 . . . . 0.0 110.868 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 142.47 48.15 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.736 2.291 . . . . 0.0 112.332 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.666 HG12 ' HG3' ' A' ' 80' ' ' ARG . 26.4 m -94.3 -174.91 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.228 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -104.24 -53.15 2.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.7 p -142.42 134.41 27.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.133 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.621 ' CE1' HG21 ' A' ' 35' ' ' VAL . 85.5 m-85 -94.29 129.72 40.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -94.85 111.98 23.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.79 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mp -111.75 139.96 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -137.63 119.33 15.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.95 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.438 HG21 HD22 ' A' ' 63' ' ' LEU . 92.8 t -106.69 128.5 61.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.114 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.7 p -146.98 150.76 35.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.168 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.584 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -154.99 160.38 30.96 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.602 0.715 . . . . 0.0 111.124 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.584 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.6 Cg_endo -69.75 104.44 1.32 Allowed 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.744 2.296 . . . . 0.0 112.333 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.46 27.89 16.32 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.12 151.8 68.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.526 0.679 . . . . 0.0 111.138 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 144.82 55.34 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 139.23 39.64 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.678 2.252 . . . . 0.0 112.295 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.515 HD12 ' N ' ' A' ' 51' ' ' GLN . 5.2 tp -126.42 127.71 45.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.515 ' N ' HD12 ' A' ' 50' ' ' LEU . 20.2 tt0 -125.91 136.03 52.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.731 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -151.61 160.99 43.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -136.1 160.13 39.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.7 t -153.05 145.22 16.95 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.602 0.715 . . . . 0.0 111.123 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 149.28 66.5 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.637 2.225 . . . . 0.0 112.319 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.11 -13.17 3.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.54 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.4 t -77.06 8.89 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.824 0.345 . . . . 0.0 110.793 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -125.97 139.97 53.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.071 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.1 m -119.59 26.68 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -170.85 137.46 1.25 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.731 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 12.2 t80 -133.06 96.48 17.61 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.72 0.771 . . . . 0.0 110.934 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 61' ' ' TYR . 54.1 Cg_endo -69.77 124.43 11.07 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.679 2.253 . . . . 0.0 112.379 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.603 ' HB2' HD11 ' A' ' 66' ' ' LEU . 4.4 mt -98.57 134.85 40.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -120.64 179.07 4.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.7 t70 57.75 40.13 26.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.603 HD11 ' HB2' ' A' ' 63' ' ' LEU . 70.2 mt -105.28 117.75 34.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 63.2 t -53.16 134.8 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.731 HD22 ' H ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -76.03 160.39 29.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 56.77 48.74 15.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.819 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 89.7 m -152.14 130.06 11.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.193 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 35.2 p-10 -78.19 99.1 6.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -91.99 140.54 29.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 70.4 m -114.03 120.77 41.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -112.62 141.1 46.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.2 m -125.06 111.79 15.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.574 HG12 ' HG3' ' A' ' 11' ' ' PRO . 72.9 t -96.39 147.08 6.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 50.4 mtm-85 -142.59 170.72 15.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -125.91 118.21 3.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.4 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.415 HD13 ' CD2' ' A' ' 84' ' ' LEU . 4.5 mm? -90.15 99.73 12.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 0.0 110.849 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.666 ' HG3' HG12 ' A' ' 35' ' ' VAL . 38.0 mtp180 -117.23 94.41 4.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.35 -151.12 50.5 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 3.46 2.73 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.661 2.24 . . . . 0.0 112.395 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -121.49 171.09 9.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.415 ' CD2' HD13 ' A' ' 79' ' ' LEU . 6.6 mt -127.55 164.96 20.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 58.2 p -103.49 178.02 4.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.45 ' HB2' ' CB ' ' A' ' 8' ' ' PRO . 2.1 m -71.78 127.86 90.28 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.619 0.723 . . . . 0.0 110.832 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 140.62 43.24 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.702 2.268 . . . . 0.0 112.335 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -129.73 115.61 17.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.9 t -116.31 171.43 7.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.416 ' HB ' HD23 ' A' ' 14' ' ' LEU . 16.7 tt -162.73 156.34 2.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.7 m -110.79 113.47 26.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.168 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -126.64 141.65 51.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 35.7 m -92.58 130.13 38.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.155 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 74.6 p -86.82 172.99 9.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.151 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 67.15 -145.54 46.42 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.502 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.0 tp 62.03 44.18 8.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.761 0.315 . . . . 0.0 110.904 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -114.8 -33.47 5.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.4 ' HB1' ' HD2' ' A' ' 99' ' ' PRO . . . -41.04 154.89 0.22 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.547 0.689 . . . . 0.0 111.057 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.4 ' HD2' ' HB1' ' A' ' 98' ' ' ALA . 54.0 Cg_endo -69.74 -14.4 36.1 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.772 2.315 . . . . 0.0 112.295 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -53.28 140.77 25.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.842 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -44.02 117.16 1.14 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.793 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 76.0 mt -94.25 178.01 5.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -90.32 74.49 6.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 105' ' ' LYS . . . -97.7 48.61 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.069 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 104' ' ' ALA . 66.7 mttm 37.21 46.41 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -82.04 46.31 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 85.0 t -62.48 -56.57 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.138 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -36.47 114.48 0.61 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.548 0.69 . . . . 0.0 111.187 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -176.08 1.37 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.692 2.261 . . . . 0.0 112.33 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.3 m -139.97 125.86 19.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 110.7 144.73 10.09 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.518 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 174.65 9.22 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.652 2.235 . . . . 0.0 112.336 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 11.7 t -174.94 160.48 2.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.796 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.6 t -139.02 127.39 22.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.8 m -77.15 167.11 22.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.907 0.384 . . . . 0.0 110.775 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.8 m -65.71 -49.35 68.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.85 -124.62 1.6 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.486 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.6 p -122.65 176.37 5.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.889 0.376 . . . . 0.0 110.833 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -90.34 41.28 1.04 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.95 87.13 1.68 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.412 ' CG ' HG21 ' A' ' 12' ' ' THR . 53.1 Cg_endo -69.84 -164.55 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.643 2.229 . . . . 0.0 112.335 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 80' ' ' ARG . 12.3 m-20 -120.61 -17.41 8.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.46 ' N ' ' HB ' ' A' ' 85' ' ' THR . . . -97.45 -170.14 33.09 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 138.05 36.72 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.326 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.412 HG21 ' CG ' ' A' ' 8' ' ' PRO . 82.1 p -135.83 163.54 29.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.147 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 61.23 36.64 17.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.595 HD23 ' CG2' ' A' ' 90' ' ' ILE . 7.4 tp -60.36 109.66 1.05 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -118.47 152.68 35.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -102.67 113.01 26.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.623 ' C ' HD12 ' A' ' 17' ' ' LEU . 3.6 pp -72.09 170.93 12.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.445 ' O ' ' CG ' ' A' ' 18' ' ' ASN . 2.9 p30 -70.95 115.7 10.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.718 HD22 ' HA ' ' A' ' 24' ' ' ALA . 8.2 mt -67.62 113.82 5.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.505 HG23 ' H ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -59.76 -75.49 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.505 ' H ' HG23 ' A' ' 20' ' ' THR . 32.0 tt0 -108.92 83.77 1.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.936 0.398 . . . . 0.0 110.924 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . 35.68 31.79 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.494 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.487 ' CE2' ' HB2' ' A' ' 62' ' ' PRO . 1.6 t80 -108.49 108.05 18.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.803 0.335 . . . . 0.0 110.886 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.718 ' HA ' HD22 ' A' ' 19' ' ' LEU . . . -84.28 128.66 34.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.9 m -135.06 157.55 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.544 HD22 HD21 ' A' ' 14' ' ' LEU . 56.7 mt -99.59 153.1 19.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -141.09 118.63 11.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.571 ' CZ2' ' CD2' ' A' ' 38' ' ' TYR . 2.3 p90 -129.54 154.12 47.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 ttmm -95.26 127.41 42.46 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.628 0.728 . . . . 0.0 110.866 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 121.2 7.91 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.708 2.272 . . . . 0.0 112.34 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.4 Cg_endo -69.76 170.0 17.6 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.689 2.26 . . . . 0.0 112.316 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 31' ' ' PRO . 28.7 tt0 -34.59 -51.72 0.49 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -108.53 120.92 44.95 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.552 0.691 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 117.29 5.0 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.633 2.222 . . . . 0.0 112.369 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.473 HG22 ' CZ ' ' A' ' 38' ' ' TYR . 15.5 m -58.04 -178.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.452 ' OD2' HG23 ' A' ' 37' ' ' THR . 1.5 t70 -94.16 -54.13 3.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.452 HG23 ' OD2' ' A' ' 36' ' ' ASP . 17.3 p -142.29 134.55 27.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.169 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.571 ' CD2' ' CZ2' ' A' ' 28' ' ' TRP . 86.9 m-85 -92.04 126.99 37.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -95.11 107.29 19.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.517 HG13 HG22 ' A' ' 76' ' ' VAL . 5.3 mp -107.21 135.59 45.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -129.87 116.17 18.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.66 HG21 HD22 ' A' ' 63' ' ' LEU . 30.4 t -108.8 134.41 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 47.7 p -146.98 164.42 33.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.761 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -159.69 162.54 24.83 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.593 0.711 . . . . 0.0 111.072 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.662 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 54.5 Cg_endo -69.68 85.75 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.672 2.248 . . . . 0.0 112.398 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.5 -37.43 3.47 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.761 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -68.46 151.7 97.07 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.593 0.711 . . . . 0.0 111.05 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.76 148.55 65.33 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.656 2.238 . . . . 0.0 112.348 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 137.91 36.26 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.654 2.236 . . . . 0.0 112.301 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 51' ' ' GLN . 3.5 tp -119.78 130.17 54.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.976 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.413 ' N ' HD12 ' A' ' 50' ' ' LEU . 35.2 tt0 -125.3 122.16 36.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.822 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -141.02 169.66 17.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -146.64 166.06 27.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.474 ' HB ' ' CE1' ' A' ' 61' ' ' TYR . 5.0 t -159.6 143.18 10.63 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.573 0.701 . . . . 0.0 111.134 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 150.98 68.71 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.613 2.209 . . . . 0.0 112.317 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.48 -14.88 5.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.507 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.4 t -74.67 5.01 5.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.349 . . . . 0.0 110.863 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -124.6 132.51 53.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.129 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.1 m -112.48 29.13 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.125 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -170.3 140.85 1.93 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.822 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 7.1 t80 -133.41 96.62 16.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.659 0.742 . . . . 0.0 110.9 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.487 ' HB2' ' CE2' ' A' ' 23' ' ' PHE . 53.9 Cg_endo -69.79 105.93 1.58 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.741 2.294 . . . . 0.0 112.332 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.66 HD22 HG21 ' A' ' 42' ' ' VAL . 7.6 mt -79.56 127.57 32.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.5 p80 -115.88 173.61 6.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.6 t0 59.49 51.29 6.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.592 ' HB3' HG21 ' A' ' 94' ' ' THR . 11.3 mt -118.57 116.49 26.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.8 t -54.45 132.52 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.756 HD22 ' H ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -75.37 166.72 23.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.958 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.445 ' N ' ' CD2' ' A' ' 69' ' ' HIS . 3.4 m170 53.34 40.59 31.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 86.3 m -147.07 130.96 17.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.402 ' OD1' ' C ' ' A' ' 71' ' ' ASN . 3.4 t-20 -70.94 121.1 17.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.9 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -119.65 127.36 52.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 94.8 m -106.86 120.52 42.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.124 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -110.5 142.51 42.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.063 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.3 m -128.29 112.05 14.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.133 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.517 HG22 HG13 ' A' ' 40' ' ' ILE . 64.0 t -95.77 150.93 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 52.6 mtm-85 -143.07 173.17 11.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.486 ' O ' HG23 ' A' ' 85' ' ' THR . . . -126.44 114.45 2.03 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.432 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -86.46 101.5 13.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.778 0.323 . . . . 0.0 110.949 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 9' ' ' ASP . 18.2 mtm180 -122.01 95.33 4.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 63.92 -153.38 47.7 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.491 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 3.95 2.46 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.701 2.267 . . . . 0.0 112.347 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -120.01 173.08 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 mt -128.74 156.93 42.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 78' ' ' GLY . 12.5 p -97.95 174.98 6.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.4 p -67.35 127.06 93.37 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.656 0.741 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 148.06 64.09 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.712 2.275 . . . . 0.0 112.328 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.72 115.59 13.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.096 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.3 t -118.3 160.51 21.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.595 ' CG2' HD23 ' A' ' 14' ' ' LEU . 18.2 tt -152.71 150.66 12.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.178 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.5 m -102.33 113.79 27.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.119 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.545 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 18.4 p90 -137.53 130.41 30.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 24.2 m -75.13 147.61 40.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.087 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.592 HG21 ' HB3' ' A' ' 66' ' ' LEU . 2.4 p -97.91 153.15 18.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 60.15 77.05 0.2 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.522 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 15.5 tp -102.38 52.34 0.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.764 0.316 . . . . 0.0 110.933 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -83.96 -54.58 4.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.422 ' HB1' ' HG2' ' A' ' 100' ' ' ARG . . . -135.68 115.9 11.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.553 0.692 . . . . 0.0 111.113 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 98' ' ' ALA . 53.3 Cg_endo -69.79 0.11 6.15 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.72 2.28 . . . . 0.0 112.322 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.422 ' HG2' ' HB1' ' A' ' 98' ' ' ALA . 5.7 ptp180 -54.83 -15.15 1.73 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -124.14 -71.24 0.72 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.8 pp -54.25 150.03 9.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -65.72 138.15 57.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.958 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -147.96 127.79 13.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 11.2 ptpp? -89.49 139.67 30.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -139.53 151.73 46.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 33.6 m -41.41 157.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 77.7 p -118.85 147.26 41.96 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.552 0.691 . . . . 0.0 111.183 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 162.42 42.15 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.664 2.243 . . . . 0.0 112.277 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.0 p -112.85 151.16 30.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -164.57 159.97 33.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.58 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 168.67 20.88 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.274 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 51.2 p -128.73 172.95 10.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.834 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.3 m -137.27 177.43 7.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.464 -179.954 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.7 m -128.15 159.95 33.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.89 0.376 . . . . 0.0 110.801 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.9 p -148.08 124.62 11.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.69 171.22 29.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.467 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.9 m -108.16 93.37 4.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.914 0.388 . . . . 0.0 110.877 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.0 p -128.92 119.59 24.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.83 70.5 0.3 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.455 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -175.46 1.17 Allowed 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.746 2.297 . . . . 0.0 112.34 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.508 ' CG ' HG22 ' A' ' 85' ' ' THR . 0.7 OUTLIER -92.47 -3.1 55.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 179.918 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.406 ' N ' ' HB ' ' A' ' 85' ' ' THR . . . -109.45 -173.77 20.96 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.448 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 137.03 34.39 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.5 p -138.54 166.36 24.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 62.67 40.96 9.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.957 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.479 ' CD1' ' HB3' ' A' ' 28' ' ' TRP . 3.6 tp -69.0 140.42 55.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.943 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.445 ' HA ' HD12 ' A' ' 90' ' ' ILE . 10.9 mtp180 -141.23 162.0 36.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.17 105.04 16.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.079 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -77.12 171.1 15.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -70.98 126.22 28.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.788 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.717 ' H ' HD12 ' A' ' 19' ' ' LEU . 4.6 mp -62.91 155.76 26.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.542 HG21 ' CE2' ' A' ' 23' ' ' PHE . 13.7 t -86.46 30.73 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.169 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 59.39 34.74 22.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.24 -52.19 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.52 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.542 ' CE2' HG21 ' A' ' 20' ' ' THR . 18.3 p90 -137.96 141.54 40.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.339 . . . . 0.0 110.908 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.534 ' HB2' ' CD2' ' A' ' 19' ' ' LEU . . . -96.97 150.02 21.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.083 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -127.05 163.48 29.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.503 HD11 HD11 ' A' ' 63' ' ' LEU . 35.6 mt -105.06 139.17 40.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -124.53 118.75 27.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.528 ' HH2' HG21 ' A' ' 54' ' ' THR . 1.8 p90 -129.45 151.9 49.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.422 ' N ' ' HE3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -93.53 128.14 43.42 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.548 0.69 . . . . 0.0 110.925 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 126.14 12.97 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.741 2.294 . . . . 0.0 112.299 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 173.33 11.19 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.599 2.199 . . . . 0.0 112.317 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -46.24 -48.82 17.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -103.77 123.02 42.62 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.67 0.748 . . . . 0.0 110.831 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 132.35 23.09 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.67 2.247 . . . . 0.0 112.345 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.652 HG12 ' CG ' ' A' ' 80' ' ' ARG . 22.8 m -80.69 -177.38 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.156 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -97.25 -55.38 2.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.4 p -142.02 135.21 29.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.644 ' HB2' HG23 ' A' ' 54' ' ' THR . 90.2 m-85 -92.07 133.78 35.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -98.41 101.62 13.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.826 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.459 HG13 HG13 ' A' ' 76' ' ' VAL . 5.1 mp -102.27 137.98 28.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -137.43 113.49 9.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.442 HG21 HD13 ' A' ' 63' ' ' LEU . 86.9 t -100.53 129.07 51.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.166 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.5 p -141.59 157.58 44.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.814 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -155.72 163.32 25.11 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 0.0 111.14 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.67 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 52.7 Cg_endo -69.81 82.6 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.726 2.284 . . . . 0.0 112.29 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 117.41 -35.11 4.26 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.476 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.814 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -69.36 151.63 96.79 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.546 0.688 . . . . 0.0 111.113 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 148.33 65.29 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.696 2.264 . . . . 0.0 112.311 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 145.03 56.46 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 0.0 112.324 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.439 HD12 ' N ' ' A' ' 51' ' ' GLN . 3.7 tp -128.55 130.14 46.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.439 ' N ' HD12 ' A' ' 50' ' ' LEU . 8.1 tp60 -123.11 116.29 23.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.702 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -137.75 154.97 49.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -130.81 162.68 29.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.644 HG23 ' HB2' ' A' ' 38' ' ' TYR . 1.2 t -151.85 145.98 18.25 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.559 0.695 . . . . 0.0 111.251 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 147.96 64.56 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.74 2.293 . . . . 0.0 112.355 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.99 -16.1 5.74 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.498 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 95.1 p -82.66 19.04 1.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.815 0.34 . . . . 0.0 110.875 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -129.4 131.95 46.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.0 m -115.11 27.43 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.183 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -170.61 133.78 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.824 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.702 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 12.6 t80 -132.22 97.45 18.12 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.628 0.727 . . . . 0.0 110.951 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 61' ' ' TYR . 53.9 Cg_endo -69.76 125.09 11.74 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.647 2.231 . . . . 0.0 112.351 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.503 HD11 HD11 ' A' ' 26' ' ' LEU . 6.1 mt -108.45 120.32 42.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -105.56 -179.58 3.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.79 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 63.56 49.76 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 44.2 mt -114.6 121.46 43.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 91.8 t -55.64 133.72 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.155 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.66 155.45 31.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.975 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 11.8 m170 60.89 49.6 5.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.5 m -161.65 139.49 9.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.203 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -76.92 133.27 39.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.837 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.583 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 10.5 m-85 -123.16 134.55 54.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.1 m -106.52 120.54 42.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.144 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -115.22 117.27 30.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.1 m -106.82 116.73 32.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.459 HG13 HG13 ' A' ' 40' ' ' ILE . 45.9 t -105.2 145.21 13.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 65.7 mtm-85 -138.13 172.92 12.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -125.46 128.52 6.59 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -94.57 100.43 12.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.763 0.316 . . . . 0.0 110.93 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.652 ' CG ' HG12 ' A' ' 35' ' ' VAL . 29.9 mmm-85 -119.76 95.52 4.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.98 -152.62 50.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.439 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 3.69 2.6 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.737 2.291 . . . . 0.0 112.291 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -121.39 178.08 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.9 mt -126.94 163.06 24.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.508 HG22 ' CG ' ' A' ' 9' ' ' ASP . 44.4 p -98.7 176.11 5.75 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.154 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 85.8 p -69.08 126.06 92.46 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.652 0.739 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 142.67 48.93 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.709 2.273 . . . . 0.0 112.395 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.39 117.4 16.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 26.3 t -126.14 152.45 45.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.826 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.445 HD12 ' HA ' ' A' ' 15' ' ' ARG . 18.7 tt -142.69 158.2 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.16 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.431 ' N ' HG12 ' A' ' 90' ' ' ILE . 0.7 OUTLIER -105.03 125.47 51.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.164 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.47 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 36.6 p90 -142.56 128.95 20.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.805 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 96.0 m -91.32 133.78 35.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.3 p -81.4 153.93 26.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 104.05 -102.65 2.17 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.508 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.9 tp 50.81 52.38 15.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.727 0.298 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.34 141.98 40.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -156.43 139.98 11.24 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.679 0.752 . . . . 0.0 111.07 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -30.33 22.11 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.737 2.291 . . . . 0.0 112.321 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 35.9 mtm180 -105.43 -74.78 0.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -168.91 136.35 1.91 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.842 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.1 tt -106.12 -54.94 2.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -114.01 -42.53 3.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.62 105.42 7.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.036 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.46 ' O ' HG13 ' A' ' 107' ' ' VAL . 45.5 tttm -89.16 109.07 19.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -53.83 127.64 26.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.46 HG13 ' O ' ' A' ' 105' ' ' LYS . 34.4 m -124.67 144.89 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 47.6 m -110.77 81.22 2.44 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.569 0.7 . . . . 0.0 111.147 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.433 ' HD3' HG23 ' A' ' 107' ' ' VAL . 53.1 Cg_endo -69.74 154.44 67.81 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.688 2.258 . . . . 0.0 112.339 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 88.1 p -111.85 163.78 13.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -130.14 124.02 4.2 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.44 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 159.47 53.26 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.629 2.219 . . . . 0.0 112.392 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 114' ' ' SER . 44.9 p -155.09 135.02 12.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.865 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 113' ' ' SER . 25.7 p -37.52 -61.62 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.553 179.932 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.9 m -84.51 42.15 0.88 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.858 0.361 . . . . 0.0 110.806 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -78.19 151.9 32.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.87 -165.24 14.32 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.494 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.7 t -48.48 -58.36 4.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.852 0.358 . . . . 0.0 110.849 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.0 t -154.09 152.59 30.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.7 -92.29 1.58 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -170.7 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.662 2.241 . . . . 0.0 112.345 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.546 ' CB ' ' CZ ' ' A' ' 80' ' ' ARG . 0.9 OUTLIER -110.64 11.47 22.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.23 -157.69 13.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.565 ' HG3' HG12 ' A' ' 76' ' ' VAL . 53.8 Cg_endo -69.73 121.69 8.38 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.624 2.216 . . . . 0.0 112.387 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 65.6 p -128.89 166.08 19.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 63.82 34.81 11.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.604 HD23 ' CG2' ' A' ' 90' ' ' ILE . 4.7 tp -58.27 125.55 23.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.965 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -127.88 172.45 10.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.804 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -125.22 105.06 8.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.878 ' O ' HD13 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -87.64 155.34 20.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.979 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.823 ' N ' HD13 ' A' ' 17' ' ' LEU . 1.6 p30 -72.76 85.12 1.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.878 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -84.79 167.96 15.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.846 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 19' ' ' LEU . 97.9 m -34.53 135.15 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' H ' ' CD ' ' A' ' 21' ' ' GLU . 0.9 OUTLIER -61.89 84.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.839 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.95 -45.84 0.82 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.468 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.495 ' CE1' ' HB2' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -92.21 108.23 19.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.894 0.378 . . . . 0.0 110.79 -179.807 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.518 ' HB1' ' CE1' ' A' ' 92' ' ' PHE . . . -92.49 137.19 32.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.045 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -135.0 159.23 41.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.158 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.5 mt -102.02 143.34 31.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -126.56 119.04 26.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.831 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.506 ' CE3' HG11 ' A' ' 76' ' ' VAL . 1.8 p90 -129.23 153.28 47.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -92.55 122.35 64.47 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.582 0.706 . . . . 0.0 110.935 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.443 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 54.0 Cg_endo -69.67 114.35 3.66 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.724 2.283 . . . . 0.0 112.322 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.443 ' HD2' ' HA ' ' A' ' 30' ' ' PRO . 53.6 Cg_endo -69.83 150.38 67.74 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.726 2.284 . . . . 0.0 112.329 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 31' ' ' PRO . 30.0 tt0 -34.28 -38.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.44 ' ND2' ' HB3' ' A' ' 9' ' ' ASP . 0.3 OUTLIER -96.78 106.64 31.75 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.621 0.724 . . . . 0.0 110.869 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 110.82 2.67 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.659 2.239 . . . . 0.0 112.311 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.586 HG21 ' CE1' ' A' ' 38' ' ' TYR . 14.3 m -60.87 -175.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.113 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -97.79 -55.73 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 39.4 p -141.89 140.63 32.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.586 ' CE1' HG21 ' A' ' 35' ' ' VAL . 73.8 m-85 -97.19 126.69 42.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -94.99 100.82 12.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.839 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.514 HD13 ' HB3' ' A' ' 61' ' ' TYR . 21.2 mt -100.79 134.93 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -132.44 111.73 11.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.586 HG21 HD22 ' A' ' 63' ' ' LEU . 62.9 t -97.63 130.97 45.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 67.8 p -145.97 161.16 40.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.484 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -165.1 157.43 13.58 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.534 0.683 . . . . 0.0 111.136 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.484 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 54.2 Cg_endo -69.76 99.99 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.641 2.227 . . . . 0.0 112.321 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 99.95 27.0 8.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.553 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.76 152.04 61.57 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.627 0.727 . . . . 0.0 111.078 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.63 146.44 61.03 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.391 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 139.9 41.44 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.667 2.245 . . . . 0.0 112.312 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.409 HD23 ' HB ' ' A' ' 42' ' ' VAL . 8.1 tp -122.55 128.4 50.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -124.68 132.75 53.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.416 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -149.3 174.45 12.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.089 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -150.73 159.52 44.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.4 t -157.32 144.08 13.31 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.517 0.675 . . . . 0.0 111.169 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 144.0 52.65 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.717 2.278 . . . . 0.0 112.334 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.525 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -39.66 -45.47 2.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 56' ' ' GLY . 66.8 m -35.04 -40.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.895 0.378 . . . . 0.0 110.849 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.78 146.04 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.1 m -124.0 19.79 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -168.44 143.25 3.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.977 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.514 ' HB3' HD13 ' A' ' 40' ' ' ILE . 8.3 t80 -132.08 96.69 19.45 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.686 0.755 . . . . 0.0 110.967 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.495 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 54.0 Cg_endo -69.73 109.03 2.2 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.331 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.586 HD22 HG21 ' A' ' 42' ' ' VAL . 2.8 mt -86.59 132.17 33.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.543 ' C ' HD12 ' A' ' 66' ' ' LEU . 1.7 p80 -120.39 172.98 7.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.3 t0 68.17 44.67 1.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.552 HD23 ' CD2' ' A' ' 72' ' ' TYR . 5.7 mp -109.04 145.29 35.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.0 t -71.59 128.06 34.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.483 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -64.86 169.99 4.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.438 ' C ' ' O ' ' A' ' 68' ' ' LEU . 9.7 m-70 34.98 50.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.8 m -146.5 133.06 19.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -74.47 114.96 13.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.552 ' CD2' HD23 ' A' ' 66' ' ' LEU . 6.4 m-85 -111.44 125.78 54.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 78.1 m -101.78 123.22 45.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.078 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -109.98 152.39 25.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.056 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 39.1 m -134.87 106.35 6.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.081 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.565 HG12 ' HG3' ' A' ' 11' ' ' PRO . 29.0 t -94.37 146.46 6.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.909 ' NE ' HD21 ' A' ' 84' ' ' LEU . 20.7 mtt180 -142.41 168.64 19.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.814 ' O ' HG23 ' A' ' 85' ' ' THR . . . -126.31 110.78 1.31 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -82.9 95.69 8.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.805 0.335 . . . . 0.0 110.94 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.546 ' CZ ' ' CB ' ' A' ' 9' ' ' ASP . 23.0 mtm180 -107.33 93.79 4.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.82 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.31 -149.08 51.14 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.501 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 5.11 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.644 2.23 . . . . 0.0 112.318 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -125.36 164.86 19.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.909 HD21 ' NE ' ' A' ' 77' ' ' ARG . 8.2 tp -124.4 155.96 37.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.814 HG23 ' O ' ' A' ' 78' ' ' GLY . 2.0 p -96.51 171.3 8.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.174 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 55.4 m -66.33 130.68 94.24 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.743 0.782 . . . . 0.0 110.79 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 147.35 62.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.73 2.287 . . . . 0.0 112.341 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -131.57 115.62 16.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.8 t -117.17 154.18 31.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.863 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.604 ' CG2' HD23 ' A' ' 14' ' ' LEU . 17.7 tt -147.59 159.65 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.112 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.459 ' N ' HG12 ' A' ' 90' ' ' ILE . 4.7 m -105.92 131.63 53.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.518 ' CE1' ' HB1' ' A' ' 24' ' ' ALA . 46.8 p90 -155.77 132.24 10.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.6 m -80.22 145.5 32.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.9 p -94.84 22.68 6.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.647 ' C ' HD23 ' A' ' 96' ' ' LEU . . . -144.76 -64.4 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.521 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.647 HD23 ' C ' ' A' ' 95' ' ' GLY . 1.2 pt? 36.0 46.72 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.804 0.335 . . . . 0.0 110.954 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -128.18 70.97 1.36 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -171.38 145.54 1.82 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.558 0.694 . . . . 0.0 111.147 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -7.64 21.57 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.742 2.295 . . . . 0.0 112.335 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.464 ' HG3' ' N ' ' A' ' 101' ' ' ASP . 12.8 ptp180 -43.46 -42.48 4.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.464 ' N ' ' HG3' ' A' ' 100' ' ' ARG . 3.9 t0 -124.19 -67.4 0.92 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.0 mp -57.06 108.74 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -101.07 146.61 27.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.76 162.63 1.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -87.73 136.61 32.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -54.06 152.67 5.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.5 p -97.93 132.43 42.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.089 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.9 t -43.9 138.39 3.24 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.586 0.708 . . . . 0.0 111.137 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 111.22 2.74 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.681 2.254 . . . . 0.0 112.305 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.453 ' C ' ' HD3' ' A' ' 112' ' ' PRO . 33.5 p -67.48 141.67 56.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -111.47 62.95 0.28 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.442 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.453 ' HD3' ' C ' ' A' ' 110' ' ' SER . 54.0 Cg_endo -69.77 132.13 22.67 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.727 2.285 . . . . 0.0 112.328 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.4 t -90.75 164.18 14.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.844 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 88.4 p -163.52 176.56 9.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.825 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.469 -179.964 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 t -174.43 148.83 1.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 110.918 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 t -118.26 -47.53 2.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.67 -144.56 17.56 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.441 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.0 t -119.64 43.5 2.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.372 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.8 t -115.01 107.88 15.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.24 -83.13 0.2 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.435 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 118.5 5.72 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.663 2.242 . . . . 0.0 112.313 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -106.7 20.21 19.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.26 -170.18 23.05 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.394 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 131.89 22.19 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.344 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.8 p -136.65 175.28 9.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 54.99 37.83 29.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.484 ' CD1' ' HB3' ' A' ' 28' ' ' TRP . 6.2 tp -60.07 121.5 12.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -119.1 158.57 25.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.9 105.89 17.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.062 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.5 mt -71.31 171.1 11.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -70.95 106.66 3.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.838 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.2 mp -62.88 117.1 5.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.554 HG22 ' H ' ' A' ' 21' ' ' GLU . 1.9 m -55.57 169.38 0.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.554 ' H ' HG22 ' A' ' 20' ' ' THR . 2.8 pp20? -37.02 -28.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 20' ' ' THR . . . -169.6 39.34 0.2 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.452 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 62' ' ' PRO . 1.7 t80 -137.61 108.01 6.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.94 0.4 . . . . 0.0 110.85 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.22 127.16 45.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.077 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.49 HG12 ' HB3' ' A' ' 62' ' ' PRO . 1.3 m -134.56 159.41 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.684 HD11 HD11 ' A' ' 63' ' ' LEU . 17.2 mt -99.86 150.71 22.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -130.21 119.74 23.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.865 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.601 ' CZ2' ' CD2' ' A' ' 38' ' ' TYR . 1.8 p90 -128.41 153.38 47.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -91.98 124.83 58.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.586 0.708 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 123.29 9.95 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.691 2.261 . . . . 0.0 112.352 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.2 Cg_endo -69.74 160.0 51.32 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.589 2.193 . . . . 0.0 112.326 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 31' ' ' PRO . 56.3 tt0 -36.41 -41.6 0.29 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -109.01 122.42 39.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.588 0.708 . . . . 0.0 110.962 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 115.86 4.3 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.723 2.282 . . . . 0.0 112.278 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.2 m -63.62 180.0 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -89.63 -58.29 2.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 31.0 p -140.98 144.94 35.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.601 ' CD2' ' CZ2' ' A' ' 28' ' ' TRP . 68.6 m-85 -98.28 130.11 44.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -94.85 102.78 14.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.607 HG12 HG22 ' A' ' 76' ' ' VAL . 16.8 mt -106.0 136.18 41.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -137.94 118.44 13.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.701 HG21 HD22 ' A' ' 63' ' ' LEU . 30.5 t -106.73 132.85 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.1 p -144.86 163.49 33.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.585 ' HB2' ' CD1' ' A' ' 72' ' ' TYR . . . -161.06 152.47 15.97 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.587 0.708 . . . . 0.0 111.057 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 81.68 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 128.2 -7.84 6.72 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.511 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.555 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -110.53 154.74 42.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.524 0.678 . . . . 0.0 111.139 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.91 152.48 68.56 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.698 2.265 . . . . 0.0 112.302 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 138.22 37.57 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.685 2.257 . . . . 0.0 112.4 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.464 HD23 ' HB ' ' A' ' 42' ' ' VAL . 6.6 tp -125.61 130.44 51.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.94 136.44 53.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.401 ' HB1' ' CZ ' ' A' ' 61' ' ' TYR . . . -151.4 150.07 30.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.079 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -132.76 159.21 40.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.56 147.52 15.53 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.658 0.742 . . . . 0.0 111.106 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 145.52 57.35 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.595 2.197 . . . . 0.0 112.34 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.407 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -44.56 -38.91 5.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.2 p -40.34 -29.47 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.345 . . . . 0.0 110.902 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -91.8 148.95 21.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.071 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.0 m -120.6 16.63 6.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.178 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -170.97 151.78 3.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.407 ' HA ' ' HD2' ' A' ' 62' ' ' PRO . 38.2 t80 -139.36 111.9 7.82 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-O 121.676 0.751 . . . . 0.0 110.94 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 23' ' ' PHE . 54.4 Cg_endo -69.78 116.2 4.45 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.65 2.233 . . . . 0.0 112.361 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.701 HD22 HG21 ' A' ' 42' ' ' VAL . 8.5 mt -95.52 104.63 16.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -93.82 176.03 6.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.2 t70 63.4 52.11 2.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 81.5 mt -116.19 109.07 16.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.7 t -42.13 134.89 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.157 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.788 HD22 ' H ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -80.8 152.89 28.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.956 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 13.3 m170 64.25 41.83 5.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.803 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 48.5 m -156.24 138.58 14.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -76.59 139.89 40.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.585 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 10.2 m-85 -130.57 129.87 43.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.1 m -99.42 123.7 43.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.16 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 89' ' ' SER . . . -115.89 137.58 51.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.6 m -126.81 118.05 23.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.607 HG22 HG12 ' A' ' 40' ' ' ILE . 12.5 t -110.62 135.38 49.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.119 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 -130.13 169.44 15.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -114.11 132.67 10.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.502 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -98.09 101.12 12.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.818 0.342 . . . . 0.0 110.952 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 34.6 mtp180 -122.1 94.35 4.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 62.73 -152.44 45.64 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.444 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.77 3.87 2.53 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.687 2.258 . . . . 0.0 112.329 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -118.05 173.62 6.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.2 mt -128.99 156.91 43.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 60.0 p -95.3 177.69 5.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 83.8 p -69.43 130.38 90.85 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.633 0.73 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.82 142.38 47.5 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.639 2.226 . . . . 0.0 112.337 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -133.42 115.65 15.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.048 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 74' ' ' ALA . 9.0 t -122.58 170.04 10.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 17.3 tt -161.05 150.71 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.126 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.75 125.52 45.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -140.33 144.86 36.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 44.7 m -99.5 144.78 28.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.173 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 95' ' ' GLY . 27.4 p -97.69 174.65 6.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 94' ' ' THR . . . 36.0 38.79 0.25 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.452 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.864 HD22 ' C ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -71.06 -13.31 61.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.797 0.332 . . . . 0.0 110.926 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.471 ' N ' HD13 ' A' ' 96' ' ' LEU . 12.0 pt-20 -58.96 -15.72 14.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.5 121.99 75.85 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.614 0.721 . . . . 0.0 111.071 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 80.91 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.706 2.271 . . . . 0.0 112.359 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 -133.96 81.4 1.92 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 52.57 34.12 14.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.1 tp -74.7 -56.37 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -82.38 163.42 21.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.92 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -129.67 91.7 3.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -74.61 158.51 33.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.62 133.86 46.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.0 p -126.07 133.61 68.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 29.7 p -112.08 139.16 22.11 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.532 0.682 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.8 145.4 56.81 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.685 2.256 . . . . 0.0 112.337 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 33.7 t -149.32 149.32 30.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.807 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 168.82 78.47 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 142.64 48.39 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.265 . . . . 0.0 112.311 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.8 p -142.62 127.31 18.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 91.3 p -82.61 -51.54 7.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.1 p -126.41 99.52 5.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.819 0.343 . . . . 0.0 110.817 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.9 p -48.31 -47.46 36.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.812 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.55 -168.22 16.37 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.442 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.4 t -137.84 108.55 6.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 0.0 110.848 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.6 m 53.48 31.96 13.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.24 133.87 8.15 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.397 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.663 ' HG3' HG21 ' A' ' 12' ' ' THR . 53.3 Cg_endo -69.81 -174.75 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.668 2.246 . . . . 0.0 112.364 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.52 ' CG ' HG22 ' A' ' 85' ' ' THR . 21.5 p-10 -98.27 -16.99 19.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.859 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.418 ' N ' ' HB ' ' A' ' 85' ' ' THR . . . -118.64 -170.33 14.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.491 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.448 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 54.3 Cg_endo -69.73 132.49 23.49 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.637 2.225 . . . . 0.0 112.429 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.663 HG21 ' HG3' ' A' ' 8' ' ' PRO . 0.9 OUTLIER -140.77 173.49 11.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 -179.863 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 56.32 40.92 29.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.578 HD12 ' O ' ' A' ' 27' ' ' HIS . 8.3 tp -58.38 125.08 21.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 16' ' ' ALA . 23.0 tpt85 -113.97 150.0 34.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.422 ' N ' ' HG3' ' A' ' 15' ' ' ARG . . . -84.95 105.31 15.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.109 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.86 HD23 ' N ' ' A' ' 18' ' ' ASN . 2.4 tt -71.46 166.91 20.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.86 ' N ' HD23 ' A' ' 17' ' ' LEU . 52.5 t30 -70.91 109.48 5.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.711 ' H ' HD12 ' A' ' 19' ' ' LEU . 4.8 mp -63.09 117.87 7.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.8 OUTLIER -60.55 165.83 3.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.422 ' H ' HG22 ' A' ' 20' ' ' THR . 9.0 pt-20 -38.54 -26.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 20' ' ' THR . . . -169.38 33.12 0.17 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.456 ' CZ ' ' HB2' ' A' ' 62' ' ' PRO . 1.7 t80 -139.55 108.42 5.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.871 0.367 . . . . 0.0 110.873 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.69 131.4 45.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -134.37 158.98 42.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.083 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.7 mt -99.08 160.94 13.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.919 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.578 ' O ' HD12 ' A' ' 14' ' ' LEU . 3.9 t-80 -141.1 118.77 11.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.474 ' HB3' ' CD1' ' A' ' 14' ' ' LEU . 1.9 p90 -129.29 154.03 47.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -87.76 117.42 68.47 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.539 0.685 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.71 119.91 6.79 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.677 2.252 . . . . 0.0 112.346 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 160.01 51.27 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.685 2.257 . . . . 0.0 112.348 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -44.88 -39.93 5.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.529 ' ND2' ' NH1' ' A' ' 80' ' ' ARG . 0.6 OUTLIER -97.31 109.46 49.97 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.606 0.717 . . . . 0.0 110.898 -179.913 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 111.83 2.91 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.74 2.293 . . . . 0.0 112.328 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.579 HG12 ' HD3' ' A' ' 80' ' ' ARG . 12.9 m -61.52 -177.03 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -96.19 -52.68 3.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.2 p -141.92 136.65 30.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.764 ' HB2' HG23 ' A' ' 54' ' ' THR . 83.8 m-85 -95.85 129.58 43.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -97.05 115.26 27.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.968 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.505 HG13 HG22 ' A' ' 76' ' ' VAL . 5.3 mp -113.63 136.29 50.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.165 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -130.17 115.04 16.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.66 HG21 HD13 ' A' ' 63' ' ' LEU . 59.0 t -105.65 127.16 60.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.086 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 44.6 p -141.76 163.84 31.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.101 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.745 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -161.67 165.44 16.38 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.59 0.71 . . . . 0.0 111.093 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.745 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.6 Cg_endo -69.76 86.13 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.733 2.289 . . . . 0.0 112.326 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.44 -39.67 2.68 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.671 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -65.03 149.92 96.09 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.568 0.699 . . . . 0.0 111.167 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 150.31 67.96 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.604 2.203 . . . . 0.0 112.334 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.81 135.92 31.57 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.625 2.217 . . . . 0.0 112.363 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.1 tp -117.74 129.78 55.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -123.38 121.18 35.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.896 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -143.94 166.51 24.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.091 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -139.95 169.73 17.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.764 HG23 ' HB2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -157.82 148.02 15.7 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.574 0.702 . . . . 0.0 111.088 -179.883 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 151.14 68.9 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.605 2.203 . . . . 0.0 112.349 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.34 -17.76 40.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.0 t -75.17 5.23 5.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.812 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.54 147.73 38.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.0 m -123.47 19.34 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -169.41 141.45 2.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.896 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 15.0 t80 -125.1 98.5 35.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.638 0.733 . . . . 0.0 110.889 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 23' ' ' PHE . 54.3 Cg_endo -69.66 112.05 2.96 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.66 HD13 HG21 ' A' ' 42' ' ' VAL . 13.0 mt -97.53 131.39 44.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.902 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.2 p80 -118.92 178.43 4.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.14 51.39 4.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 44.2 mt -115.08 127.3 55.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 67.8 t -59.96 132.17 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.801 HD22 ' H ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -77.64 157.63 30.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 58.51 46.74 14.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.8 m -150.29 138.46 20.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -77.81 110.3 12.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.492 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 25.0 m-85 -109.44 128.77 55.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 94.3 m -104.64 119.64 39.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.108 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -109.46 141.21 42.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.166 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.2 m -133.5 120.04 20.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.165 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.505 HG22 HG13 ' A' ' 40' ' ' ILE . 62.0 t -106.32 151.73 8.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 51.9 mtm-85 -142.18 171.29 14.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -123.91 126.31 6.13 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.444 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -96.79 102.62 14.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.791 0.329 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.579 ' HD3' HG12 ' A' ' 35' ' ' VAL . 26.8 mtm180 -121.89 94.05 4.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 67.15 -153.5 52.9 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.414 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.65 3.42 2.73 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.707 2.271 . . . . 0.0 112.365 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -120.02 175.47 5.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.0 mt -127.81 166.91 17.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.52 HG22 ' CG ' ' A' ' 9' ' ' ASP . 59.0 p -105.96 177.99 4.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.144 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.3 m -71.22 129.37 89.23 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.739 0.78 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 149.26 66.05 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.684 2.256 . . . . 0.0 112.254 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 11' ' ' PRO . . . -138.19 115.58 11.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.105 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.5 t -121.65 168.85 11.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.867 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.414 HD12 ' O ' ' A' ' 14' ' ' LEU . 16.4 tt -157.51 156.47 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.066 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 14.7 m -109.24 114.54 28.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -130.63 154.04 48.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 35.3 m -107.29 127.53 53.63 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.076 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.8 p -83.99 168.68 15.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 43.19 47.55 6.63 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.498 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -80.47 0.98 31.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.716 0.294 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -69.21 91.97 0.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.77 143.92 48.43 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.559 0.695 . . . . 0.0 111.12 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.72 -3.18 11.46 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.667 2.245 . . . . 0.0 112.34 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -101.15 136.54 40.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -38.07 134.16 0.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.1 mt -112.34 82.54 1.65 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -168.92 152.57 5.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -102.76 99.87 9.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 31.7 pttt -144.77 130.21 18.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -96.66 92.32 6.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.835 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 86.0 t -93.46 103.99 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.153 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 18.7 m -90.2 121.84 68.2 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.504 0.668 . . . . 0.0 111.14 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 165.36 31.27 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.751 2.301 . . . . 0.0 112.259 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 60.5 p -174.57 167.45 3.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -154.99 140.83 7.66 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.522 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 149.72 67.49 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.66 2.24 . . . . 0.0 112.39 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.5 m -104.63 135.74 45.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.9 t -91.66 158.04 16.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.486 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -54.51 92.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.874 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m -140.71 155.69 46.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.46 -91.04 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.7 m -54.18 157.03 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.1 m -49.2 166.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.58 78.19 0.29 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.418 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.597 ' HG2' HG21 ' A' ' 12' ' ' THR . 53.1 Cg_endo -69.88 169.86 18.08 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 0.0 112.306 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.441 ' OD2' ' NH2' ' A' ' 80' ' ' ARG . 0.9 OUTLIER -113.74 9.91 17.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.883 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -116.83 -164.57 13.6 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.525 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.461 ' HG3' HG12 ' A' ' 76' ' ' VAL . 53.8 Cg_endo -69.71 124.52 11.18 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.781 2.321 . . . . 0.0 112.306 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.597 HG21 ' HG2' ' A' ' 8' ' ' PRO . 82.3 p -127.26 172.48 10.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.165 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 56.56 38.18 29.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.409 HD12 ' HB3' ' A' ' 28' ' ' TRP . 6.6 tp -62.52 128.87 38.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.8 ttm-85 -141.5 164.23 30.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.527 ' HB2' HD13 ' A' ' 90' ' ' ILE . . . -123.82 105.38 9.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.072 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.743 ' O ' HD13 ' A' ' 19' ' ' LEU . 5.0 mp -72.49 157.26 37.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -78.82 89.65 4.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.841 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.743 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -93.05 166.75 12.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 20' ' ' THR . 10.6 t -44.88 118.01 1.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.15 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.4 ' CD ' ' HG2' ' A' ' 97' ' ' GLU . 0.9 OUTLIER -47.52 94.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.13 -56.69 0.29 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.486 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 62' ' ' PRO . 4.7 t80 -113.8 107.95 16.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.911 0.386 . . . . 0.0 110.867 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.539 ' HB3' ' CE2' ' A' ' 92' ' ' PHE . . . -100.02 145.54 27.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -135.0 163.33 36.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.579 HD21 ' HB3' ' A' ' 74' ' ' ALA . 19.4 mt -94.08 149.53 21.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.964 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -134.91 118.92 17.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.823 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.604 ' CE3' HG11 ' A' ' 76' ' ' VAL . 1.9 p90 -129.37 153.95 47.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -92.92 121.77 65.14 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.56 0.695 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 121.17 7.86 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.712 2.274 . . . . 0.0 112.331 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.0 Cg_endo -69.75 161.85 44.33 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.703 2.269 . . . . 0.0 112.352 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 31' ' ' PRO . 0.5 OUTLIER -34.32 -54.66 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.46 121.72 54.02 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.605 0.717 . . . . 0.0 110.842 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 120.24 7.05 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.783 2.322 . . . . 0.0 112.327 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.754 HG12 ' HG2' ' A' ' 80' ' ' ARG . 5.0 m -62.06 -178.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -87.94 -59.19 2.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.1 p -141.93 145.31 34.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.092 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.71 ' CE1' HG21 ' A' ' 35' ' ' VAL . 76.4 m-85 -100.24 130.64 46.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -96.94 106.5 18.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.1 mp -106.26 136.05 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -137.01 117.22 13.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.745 HG21 HD22 ' A' ' 63' ' ' LEU . 82.3 t -109.26 130.23 62.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.2 p -146.72 174.86 11.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.198 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.695 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -168.78 159.58 8.22 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.588 0.709 . . . . 0.0 111.129 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.555 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.8 Cg_endo -69.74 -9.29 25.75 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.741 2.294 . . . . 0.0 112.299 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -147.09 37.11 1.18 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.48 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.695 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -150.65 154.9 35.73 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.569 0.7 . . . . 0.0 111.093 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.407 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.5 Cg_endo -69.82 147.32 62.24 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 145.35 57.13 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.723 2.282 . . . . 0.0 112.344 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.53 HD23 ' HB ' ' A' ' 42' ' ' VAL . 6.7 tp -130.07 135.1 47.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -132.75 128.69 37.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.531 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -150.8 172.07 16.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -147.98 155.04 41.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.449 HG23 ' HB2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -148.66 151.8 36.49 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.604 0.716 . . . . 0.0 111.105 -179.869 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 148.51 65.34 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.695 2.264 . . . . 0.0 112.329 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.559 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -51.31 -34.3 33.08 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.53 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 t -52.39 -17.88 1.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.823 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.4 152.22 22.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.2 m -128.89 14.56 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.154 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -171.03 148.0 2.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.531 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 33.5 t80 -138.69 106.08 7.59 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.645 0.736 . . . . 0.0 110.961 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 23' ' ' PHE . 54.0 Cg_endo -69.77 134.2 27.38 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.652 2.234 . . . . 0.0 112.32 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.745 HD22 HG21 ' A' ' 42' ' ' VAL . 14.8 mt -104.93 136.81 43.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.669 ' C ' HD12 ' A' ' 66' ' ' LEU . 12.2 p80 -122.02 177.17 5.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.815 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 63.25 41.44 7.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.669 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.6 mp -109.9 137.41 47.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 68' ' ' LEU . 86.5 t -78.39 117.6 24.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.525 HD13 ' O ' ' A' ' 94' ' ' THR . 0.6 OUTLIER -34.66 -74.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.963 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -76.51 69.69 2.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 65.9 m -163.95 135.34 4.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -85.17 127.19 34.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.493 ' CG ' HD23 ' A' ' 66' ' ' LEU . 58.4 m-85 -119.16 125.64 49.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 45.8 m -103.34 118.9 37.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.085 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.579 ' HB3' HD21 ' A' ' 26' ' ' LEU . . . -106.51 142.43 36.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.049 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.5 m -124.35 109.24 13.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.604 HG11 ' CE3' ' A' ' 28' ' ' TRP . 21.2 t -96.4 139.48 19.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 19.3 mtt85 -140.14 152.74 46.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -107.44 121.62 6.54 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.529 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -87.8 105.24 17.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.753 0.311 . . . . 0.0 110.992 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.754 ' HG2' HG12 ' A' ' 35' ' ' VAL . 21.6 mmm-85 -122.01 95.15 4.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 61.6 -152.34 42.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.567 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 3.75 2.58 Favored 'Trans proline' 0 N--CA 1.465 -0.199 0 C-N-CA 122.676 2.251 . . . . 0.0 112.369 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -117.55 176.35 5.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.957 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.5 mt -128.73 160.89 31.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 38.6 p -102.66 176.0 5.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 49.8 m -68.43 123.6 87.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.646 0.736 . . . . 0.0 110.875 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.78 144.39 53.77 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.637 2.225 . . . . 0.0 112.332 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -126.99 116.75 21.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 29.5 t -117.52 158.17 25.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.527 HD13 ' HB2' ' A' ' 16' ' ' ALA . 7.0 tt -158.84 152.48 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.453 ' N ' HG12 ' A' ' 90' ' ' ILE . 0.7 OUTLIER -109.39 117.77 34.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.539 ' CE2' ' HB3' ' A' ' 24' ' ' ALA . 41.1 p90 -130.78 124.34 31.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.2 m -79.6 140.21 37.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.105 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.525 ' O ' HD13 ' A' ' 68' ' ' LEU . 9.0 p -97.46 26.4 4.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.084 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -152.17 31.27 0.88 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 14.3 tp -78.73 52.01 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.4 ' HG2' ' CD ' ' A' ' 21' ' ' GLU . 16.6 mt-10 -67.9 -22.63 65.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 1.102 ' HB3' HD23 ' A' ' 102' ' ' LEU . . . -123.41 163.99 30.87 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.645 0.736 . . . . 0.0 111.052 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.683 ' HD2' ' HB1' ' A' ' 98' ' ' ALA . 53.5 Cg_endo -69.79 -173.73 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.677 2.251 . . . . 0.0 112.31 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.429 ' HB3' ' NH1' ' A' ' 100' ' ' ARG . 4.3 ptp180 -36.77 -40.87 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.551 ' OD1' ' HB2' ' A' ' 104' ' ' ALA . 16.3 t0 -92.64 95.07 9.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 1.102 HD23 ' HB3' ' A' ' 98' ' ' ALA . 30.2 mt -84.59 -30.01 25.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -124.1 102.83 7.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.551 ' HB2' ' OD1' ' A' ' 101' ' ' ASP . . . -139.75 -176.39 4.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.52 150.83 28.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -126.42 160.43 30.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 89.4 t -154.55 118.6 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 66.6 m -108.41 124.37 34.71 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.604 0.716 . . . . 0.0 111.112 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -177.64 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.715 2.276 . . . . 0.0 112.346 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.4 p -161.29 144.41 12.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.847 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 171.37 83.68 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 174.26 9.8 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.6 t -172.22 153.07 2.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 35.6 p -173.3 149.55 1.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.515 179.939 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 t -89.22 91.44 8.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.853 0.359 . . . . 0.0 110.863 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.1 p -89.09 142.01 28.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.99 132.5 3.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -62.16 -45.85 91.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.872 0.368 . . . . 0.0 110.837 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -123.52 75.34 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.26 146.21 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.4 ' CB ' ' HB2' ' A' ' 86' ' ' SER . 53.9 Cg_endo -69.8 -164.53 0.13 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.667 2.244 . . . . 0.0 112.396 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.438 ' HB3' ' ND2' ' A' ' 33' ' ' ASN . 25.7 m-20 -118.01 26.39 9.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.82 -155.93 7.19 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.51 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.425 ' CB ' ' HB2' ' A' ' 28' ' ' TRP . 54.5 Cg_endo -69.69 122.81 9.51 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.712 2.275 . . . . 0.0 112.387 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.3 p -126.48 177.11 6.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 51.18 36.12 15.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.505 HD23 ' CG2' ' A' ' 90' ' ' ILE . 5.8 tp -57.94 112.39 1.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.7 mtt180 -113.74 151.5 31.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.8 113.46 22.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.69 HD22 ' NE2' ' A' ' 27' ' ' HIS . 5.3 tp -72.17 157.93 36.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -71.68 121.18 18.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.798 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.7 ' H ' HD12 ' A' ' 19' ' ' LEU . 3.9 mp -62.95 152.43 36.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 t -121.63 84.41 2.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 67.08 51.14 0.96 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.3 54.61 3.98 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.464 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.603 ' CZ ' ' HB2' ' A' ' 62' ' ' PRO . 4.9 t80 -139.27 107.73 5.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.905 0.383 . . . . 0.0 110.854 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.512 ' HB1' ' CE1' ' A' ' 92' ' ' PHE . . . -100.2 116.88 33.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.122 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -126.35 152.86 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.2 mt -96.25 151.22 19.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.69 ' NE2' HD22 ' A' ' 17' ' ' LEU . 4.3 m-70 -137.66 120.32 16.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.582 ' CE3' HG11 ' A' ' 76' ' ' VAL . 2.2 p90 -129.25 154.21 47.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -94.28 125.71 51.21 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.614 0.721 . . . . 0.0 110.884 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.447 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 54.6 Cg_endo -69.71 111.91 2.93 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.628 2.219 . . . . 0.0 112.363 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.447 ' HD2' ' HA ' ' A' ' 30' ' ' PRO . 53.6 Cg_endo -69.72 167.72 23.58 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.249 . . . . 0.0 112.359 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -48.9 -51.26 30.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.438 ' ND2' ' HB3' ' A' ' 9' ' ' ASP . 5.8 p30 -72.16 111.83 12.29 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.598 0.713 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.77 113.98 3.55 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.653 2.235 . . . . 0.0 112.33 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.855 HG21 ' CE1' ' A' ' 38' ' ' TYR . 23.1 m -75.85 179.76 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.09 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -107.48 -55.96 2.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.479 ' O ' HD23 ' A' ' 79' ' ' LEU . 16.0 p -142.4 139.74 31.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.098 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.855 ' CE1' HG21 ' A' ' 35' ' ' VAL . 84.6 m-85 -96.05 129.83 43.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -95.94 103.03 14.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.1 mp -98.88 132.79 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.139 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -132.36 117.07 17.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.466 HG21 HD22 ' A' ' 63' ' ' LEU . 43.4 t -110.09 132.27 58.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 38.6 p -143.86 172.17 13.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.109 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.76 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -169.32 150.54 4.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.555 0.693 . . . . 0.0 111.176 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 82.26 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.723 2.282 . . . . 0.0 112.341 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 125.17 -17.67 7.05 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.439 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.76 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -98.45 154.6 37.49 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.566 0.698 . . . . 0.0 111.102 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 150.15 67.85 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.755 2.303 . . . . 0.0 112.343 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 148.82 65.96 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.676 2.251 . . . . 0.0 112.397 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.1 tp -133.32 132.39 41.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.44 ' C ' ' CD ' ' A' ' 51' ' ' GLN . 8.9 tm0? -124.97 135.6 52.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -155.47 145.13 21.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.045 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -125.07 161.11 27.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.519 ' OG1' ' HB3' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -156.24 139.9 11.29 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.59 0.709 . . . . 0.0 111.177 -179.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 151.98 69.36 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.733 2.289 . . . . 0.0 112.33 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 58' ' ' ALA . . . -45.0 -45.92 9.39 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.518 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.8 p -39.36 -25.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.937 0.399 . . . . 0.0 110.927 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.519 ' HB3' ' OG1' ' A' ' 54' ' ' THR . . . -93.03 143.94 25.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.105 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.3 m -123.47 17.3 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.7 p30 -171.23 149.43 2.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -139.89 107.07 6.9 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.673 0.749 . . . . 0.0 110.893 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.603 ' HB2' ' CZ ' ' A' ' 23' ' ' PHE . 53.4 Cg_endo -69.72 122.9 9.59 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.668 2.245 . . . . 0.0 112.364 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.466 HD22 HG21 ' A' ' 42' ' ' VAL . 10.0 mt -97.99 112.49 24.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -108.2 167.93 9.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.6 t70 70.95 44.32 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 36.0 mt -112.19 137.45 50.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.2 t -66.49 134.57 29.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.076 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.814 HD22 ' H ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -75.06 162.89 28.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 50.48 43.57 27.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 59.5 m -144.93 127.47 16.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.157 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -71.93 98.18 1.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.51 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 11.7 m-85 -93.67 121.35 35.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.7 m -95.35 123.46 38.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.062 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -112.08 153.42 26.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.055 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.2 m -137.78 116.64 12.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.582 HG11 ' CE3' ' A' ' 28' ' ' TRP . 45.0 t -109.38 142.52 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 -138.7 179.86 6.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -129.53 128.71 5.81 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.479 HD23 ' O ' ' A' ' 37' ' ' THR . 4.3 mm? -87.58 92.65 9.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.773 0.32 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.566 ' HG3' HG12 ' A' ' 35' ' ' VAL . 42.0 mtp180 -112.85 97.1 6.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.813 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.412 ' HA3' ' HD2' ' A' ' 82' ' ' PRO . . . 64.4 -147.89 50.97 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.496 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.412 ' HD2' ' HA3' ' A' ' 81' ' ' GLY . 53.4 Cg_endo -69.74 3.1 2.96 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.728 2.285 . . . . 0.0 112.308 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -133.37 174.94 9.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.954 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.5 mp -123.25 166.17 15.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.938 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 19.5 p -86.19 178.48 7.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.197 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.4 ' HB2' ' CB ' ' A' ' 8' ' ' PRO . 23.0 m -66.47 132.49 94.26 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.664 0.745 . . . . 0.0 110.873 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 137.18 34.72 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.715 2.277 . . . . 0.0 112.295 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -125.8 115.57 20.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.7 t -117.5 149.7 40.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.505 ' CG2' HD23 ' A' ' 14' ' ' LEU . 17.6 tt -145.85 147.98 17.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.158 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.1 m -101.92 118.44 36.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.512 ' CE1' ' HB1' ' A' ' 24' ' ' ALA . 38.9 p90 -136.21 133.91 37.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 88.6 m -84.47 132.12 34.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.3 p -89.05 151.14 22.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.179 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 42.42 85.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.471 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.728 HD23 ' H ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER -91.43 57.86 3.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.783 0.325 . . . . 0.0 110.906 -179.876 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -78.87 76.71 5.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.825 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.527 ' HB1' ' HD2' ' A' ' 99' ' ' PRO . . . -137.42 158.83 71.43 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.581 0.705 . . . . 0.0 111.09 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.527 ' HD2' ' HB1' ' A' ' 98' ' ' ALA . 53.6 Cg_endo -69.76 -163.93 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.709 2.272 . . . . 0.0 112.304 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 66.5 mtm180 -75.81 55.48 0.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -114.91 -42.2 3.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 18.9 mt -50.94 -46.05 60.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -105.31 175.69 5.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -161.81 138.09 8.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.212 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 43.3 pttt -115.77 176.82 4.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -160.59 137.18 8.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.4 p -129.0 143.46 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.093 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.6 t -100.58 134.75 20.41 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.629 0.728 . . . . 0.0 111.171 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 174.53 9.37 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.661 2.24 . . . . 0.0 112.339 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.5 t -128.4 169.12 14.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 121.88 89.43 1.01 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.468 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -47.67 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.65 2.234 . . . . 0.0 112.355 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.3 p -172.92 173.63 3.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.7 t -173.62 129.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.913 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.483 -179.937 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t 42.02 43.3 2.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.887 0.375 . . . . 0.0 110.889 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -93.44 41.38 1.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.906 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.94 -142.54 17.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.469 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 p -42.58 -27.63 0.18 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.864 0.364 . . . . 0.0 110.849 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -84.89 80.28 9.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.64 -170.87 14.6 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.452 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 90.17 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.674 2.249 . . . . 0.0 112.378 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.438 ' HB3' ' ND2' ' A' ' 33' ' ' ASN . 40.6 m-20 -93.7 23.6 4.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.0 -165.05 18.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.548 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 141.88 46.54 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.7 2.266 . . . . 0.0 112.354 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.8 p -143.8 -179.64 6.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.145 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 53.39 29.35 8.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.607 HD23 ' HB ' ' A' ' 90' ' ' ILE . 4.6 tp -60.38 139.96 57.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.417 ' HA ' HD13 ' A' ' 90' ' ' ILE . 32.2 mtp180 -154.46 155.69 35.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -119.68 107.93 13.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.758 ' O ' HD13 ' A' ' 19' ' ' LEU . 13.2 mt -82.88 166.87 18.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.7 p-10 -81.8 90.14 6.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.758 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -98.55 169.03 9.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 22' ' ' GLY . 9.9 t -38.24 120.06 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.108 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -58.2 79.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 20' ' ' THR . . . 178.31 -44.82 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 64' ' ' HIS . 0.6 OUTLIER -127.47 108.02 10.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 110.845 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.99 143.25 30.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.107 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -127.54 162.79 32.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.5 mt -100.16 142.36 31.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.424 ' O ' HD12 ' A' ' 14' ' ' LEU . 10.7 t-80 -125.97 118.88 26.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.856 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.491 ' HB3' ' CD1' ' A' ' 14' ' ' LEU . 1.9 p90 -129.46 154.12 47.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.37 123.05 61.61 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.588 0.709 . . . . 0.0 110.923 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.422 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 53.6 Cg_endo -69.7 115.23 3.99 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.702 2.268 . . . . 0.0 112.353 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 32' ' ' GLN . 54.3 Cg_endo -69.74 150.63 68.57 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.383 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 31' ' ' PRO . 8.5 tp-100 -34.26 -46.01 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.438 ' ND2' ' HB3' ' A' ' 9' ' ' ASP . 0.3 OUTLIER -92.57 106.78 19.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.62 0.724 . . . . 0.0 110.899 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 116.13 4.42 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.696 2.264 . . . . 0.0 112.383 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.671 HG12 ' HG3' ' A' ' 80' ' ' ARG . 27.0 m -65.15 -175.68 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.127 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -97.65 -53.19 3.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.814 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.0 p -140.76 137.24 33.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.813 ' HB2' HG23 ' A' ' 54' ' ' THR . 84.7 m-85 -94.86 125.53 39.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -95.75 112.41 24.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.826 HG12 HG22 ' A' ' 76' ' ' VAL . 19.9 mt -113.52 135.98 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -129.67 107.92 9.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.846 HG21 HD22 ' A' ' 63' ' ' LEU . 2.0 t -103.18 118.41 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.6 p -138.56 161.12 37.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.47 154.7 16.06 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.64 0.733 . . . . 0.0 111.09 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.87 95.23 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.595 2.197 . . . . 0.0 112.352 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.02 17.25 6.89 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.447 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -142.23 156.8 64.28 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.585 0.707 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.447 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 54.0 Cg_endo -69.77 158.15 57.93 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.647 2.231 . . . . 0.0 112.375 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 146.05 59.44 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.632 2.221 . . . . 0.0 112.352 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.491 ' CD1' ' C ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -112.29 121.37 44.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.47 ' N ' HD13 ' A' ' 50' ' ' LEU . 4.6 tm0? -125.98 114.5 18.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.447 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -155.04 143.12 20.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -120.84 160.09 24.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.955 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.813 HG23 ' HB2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -145.5 152.28 49.16 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.595 0.712 . . . . 0.0 111.16 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 149.6 67.55 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.258 . . . . 0.0 112.308 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.486 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -59.49 -15.01 30.43 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.7 t -79.21 11.68 2.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.807 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -110.75 157.16 20.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.091 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.695 HG23 ' OD2' ' A' ' 60' ' ' ASP . 29.7 m -125.96 -7.95 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.171 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.695 ' OD2' HG23 ' A' ' 59' ' ' VAL . 6.7 m-20 -154.24 150.36 27.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.447 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 15.8 t80 -134.97 99.36 12.46 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.757 0.789 . . . . 0.0 110.877 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.46 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 53.8 Cg_endo -69.66 117.66 5.21 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.743 2.296 . . . . 0.0 112.338 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.846 HD22 HG21 ' A' ' 42' ' ' VAL . 4.4 mt -92.72 132.92 36.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.949 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.577 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 5.5 p80 -117.63 164.73 14.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.4 t0 71.17 47.34 0.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.489 HD11 ' HB2' ' A' ' 63' ' ' LEU . 55.2 mt -110.57 120.25 41.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 86.4 t -54.92 130.88 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.195 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.434 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 1.2 mm? -77.74 158.14 29.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 61.15 46.67 7.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.8 m -157.89 130.79 7.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -72.38 111.24 7.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -104.29 133.17 49.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 56.1 m -102.01 119.97 39.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.103 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -111.84 131.29 55.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.0 m -123.65 119.72 30.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.826 HG22 HG12 ' A' ' 40' ' ' ILE . 24.8 t -105.99 145.52 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.5 mtm-85 -138.96 168.03 20.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -120.85 134.84 10.44 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.444 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -100.41 102.35 13.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.797 0.332 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.671 ' HG3' HG12 ' A' ' 35' ' ' VAL . 24.9 mtp180 -122.06 94.16 4.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.68 -152.88 50.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 3.54 2.7 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.783 2.322 . . . . 0.0 112.283 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -119.42 177.59 4.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.3 mt -128.46 164.98 21.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 40.3 p -102.31 176.53 5.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 82.6 p -69.21 124.13 89.76 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.683 0.754 . . . . 0.0 110.918 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 138.91 39.03 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.742 2.294 . . . . 0.0 112.386 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -122.8 115.66 22.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.9 t -108.22 152.69 24.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.837 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.607 ' HB ' HD23 ' A' ' 14' ' ' LEU . 1.4 tp -142.21 139.72 29.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.13 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.486 ' N ' HG13 ' A' ' 90' ' ' ILE . 34.0 m -109.55 110.02 20.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.158 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -135.84 155.64 50.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 57.6 m -99.72 138.51 36.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.5 p -77.13 -54.35 6.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -94.72 130.03 10.14 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.454 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.3 tp -116.67 14.24 15.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.76 0.314 . . . . 0.0 110.938 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -59.07 116.4 3.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -170.45 154.35 4.67 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.619 0.723 . . . . 0.0 111.046 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -164.45 0.13 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.69 2.26 . . . . 0.0 112.401 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -74.24 62.47 0.94 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -130.57 -47.13 1.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.5 mt -41.95 -44.8 3.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -87.77 176.08 7.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 105' ' ' LYS . . . -123.15 44.59 2.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.598 ' O ' HG23 ' A' ' 107' ' ' VAL . 13.3 tptp 37.8 53.11 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.463 ' CD ' ' O ' ' A' ' 106' ' ' GLU . 2.8 pp20? -48.18 109.8 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 105' ' ' LYS . 49.5 t -118.92 140.37 43.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.22 135.01 28.8 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.522 0.677 . . . . 0.0 111.154 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 144.55 54.81 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.672 2.248 . . . . 0.0 112.334 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.8 t -79.95 172.4 13.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -111.1 83.37 0.32 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.439 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 152.87 69.63 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.68 2.253 . . . . 0.0 112.357 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 92.9 p -126.78 139.22 53.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.9 t -117.2 163.64 15.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 -179.936 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.7 t -126.99 81.88 2.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 110.88 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -49.62 129.93 20.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.96 82.86 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.1 p -48.35 142.5 5.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.796 0.332 . . . . 0.0 110.889 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.4 m -108.92 97.36 7.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.825 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.96 69.21 0.41 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.464 ' CG ' HG21 ' A' ' 12' ' ' THR . 54.4 Cg_endo -69.69 -163.84 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.678 2.252 . . . . 0.0 112.378 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.51 ' HB2' HG22 ' A' ' 85' ' ' THR . 4.3 m-20 -123.81 -10.46 7.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.96 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -107.02 -166.75 22.27 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.446 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.415 ' HG3' HG12 ' A' ' 76' ' ' VAL . 53.9 Cg_endo -69.74 138.66 38.43 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.644 2.229 . . . . 0.0 112.383 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.464 HG21 ' CG ' ' A' ' 8' ' ' PRO . 48.7 p -137.29 174.05 11.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 49.99 35.92 10.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 28' ' ' TRP . 8.8 tp -58.1 130.49 46.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -135.93 -178.92 5.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.18 104.94 7.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.128 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.798 ' O ' HD13 ' A' ' 19' ' ' LEU . 1.8 pt? -74.69 171.24 14.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.823 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -70.64 85.06 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.798 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -74.89 163.42 27.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 47.9 p -48.65 172.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -82.55 45.22 0.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.86 -54.35 0.16 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.472 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.49 ' CE1' ' HB2' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -85.23 108.39 17.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.923 0.392 . . . . 0.0 110.93 -179.893 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.86 148.2 24.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -135.03 163.77 35.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.406 HD11 HD11 ' A' ' 63' ' ' LEU . 20.6 mt -101.48 141.4 34.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.94 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.576 ' CE1' HD22 ' A' ' 17' ' ' LEU . 3.4 m170 -125.81 119.15 27.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.761 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.485 ' CZ2' ' CD2' ' A' ' 38' ' ' TYR . 1.7 p90 -129.25 149.03 51.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -90.57 122.56 66.99 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.599 0.714 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 123.61 10.27 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.68 2.253 . . . . 0.0 112.334 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 32' ' ' GLN . 53.7 Cg_endo -69.78 163.84 36.78 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.377 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 31' ' ' PRO . 6.3 tt0 -37.6 -48.08 0.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.425 ' ND2' ' CZ ' ' A' ' 80' ' ' ARG . 0.7 OUTLIER -104.38 121.43 47.38 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.591 0.71 . . . . 0.0 110.923 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.63 129.09 17.13 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.703 2.269 . . . . 0.0 112.356 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.622 HG21 ' CE1' ' A' ' 38' ' ' TYR . 33.2 m -71.52 -174.87 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.174 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -95.62 -57.76 2.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.1 p -140.7 142.93 34.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.108 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.622 ' CE1' HG21 ' A' ' 35' ' ' VAL . 71.5 m-85 -99.66 126.39 45.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -95.43 97.05 9.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.407 ' N ' HD12 ' A' ' 40' ' ' ILE . 5.2 mp -97.31 138.83 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -137.92 109.58 7.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.649 HG21 HD22 ' A' ' 63' ' ' LEU . 96.1 t -99.94 127.35 52.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.8 p -146.75 168.52 21.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.212 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.416 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -173.68 154.64 2.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.575 0.702 . . . . 0.0 111.098 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 107.73 1.93 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.644 2.229 . . . . 0.0 112.342 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.77 20.23 37.78 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.416 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . . . -136.18 152.69 75.77 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.538 0.685 . . . . 0.0 111.095 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 132.37 23.19 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.398 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.64 147.17 63.07 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.67 2.246 . . . . 0.0 112.312 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' ' 51' ' ' GLN . 3.5 tp -132.98 130.56 39.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.526 ' N ' HD12 ' A' ' 50' ' ' LEU . 60.0 tt0 -130.95 140.4 50.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.605 ' HB1' ' OH ' ' A' ' 61' ' ' TYR . . . -159.16 177.96 10.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -145.86 159.53 43.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.2 t -156.51 144.46 14.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.58 0.705 . . . . 0.0 111.203 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.75 146.28 59.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.651 2.234 . . . . 0.0 112.342 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.449 ' HA2' ' CE2' ' A' ' 38' ' ' TYR . . . -42.58 -40.18 3.7 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.465 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' GLY . 3.7 m -37.61 -32.49 0.05 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.902 0.382 . . . . 0.0 110.923 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 56' ' ' GLY . . . -87.44 150.43 23.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.048 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.2 m -125.94 16.42 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -166.89 146.64 5.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.605 ' OH ' ' HB1' ' A' ' 52' ' ' ALA . 11.6 t80 -132.22 99.25 16.31 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.691 0.758 . . . . 0.0 111.002 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.49 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 54.0 Cg_endo -69.72 129.02 16.91 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.649 HD22 HG21 ' A' ' 42' ' ' VAL . 4.3 mt -111.36 136.48 50.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -120.14 178.2 4.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.816 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 59.48 55.07 4.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.432 ' CB ' HG21 ' A' ' 94' ' ' THR . 10.0 mt -124.9 123.98 41.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.1 t -58.51 113.54 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.149 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.679 HD22 ' H ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -42.04 -63.17 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.961 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -74.34 61.54 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.1 m -167.44 121.75 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -79.95 108.51 13.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -92.37 122.04 34.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.959 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 78.5 m -89.65 119.08 29.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.173 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -107.86 143.46 36.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.5 m -128.32 105.04 8.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.084 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.474 HG11 ' CE3' ' A' ' 28' ' ' TRP . 24.8 t -91.53 144.11 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.807 ' HD2' HD11 ' A' ' 84' ' ' LEU . 49.2 mtm-85 -139.74 163.84 31.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.472 ' O ' HG23 ' A' ' 85' ' ' THR . . . -121.61 114.15 2.48 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.61 103.69 16.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.834 0.349 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.501 ' HG3' HG12 ' A' ' 35' ' ' VAL . 45.5 mtp180 -121.73 96.83 5.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 67.26 -152.7 52.8 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 2.93 3.08 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.616 2.211 . . . . 0.0 112.379 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -121.06 162.9 19.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.807 HD11 ' HD2' ' A' ' 77' ' ' ARG . 7.9 tp -120.32 151.5 39.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.51 HG22 ' HB2' ' A' ' 9' ' ' ASP . 33.7 p -91.39 168.24 11.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.1 p -66.41 128.77 94.02 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 121.637 0.732 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 152.68 69.26 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.67 2.246 . . . . 0.0 112.322 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -139.12 115.52 10.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.5 t -114.16 167.98 10.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.828 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 11.8 tt -162.48 147.97 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.134 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 5.5 m -100.33 119.95 39.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.148 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -138.96 130.12 26.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.44 142.63 32.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.432 HG21 ' CB ' ' A' ' 66' ' ' LEU . 3.3 p -94.89 17.72 13.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -146.93 -40.72 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.8 tp -77.36 47.0 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 110.93 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -106.28 -75.02 0.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -128.22 73.03 79.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.651 0.738 . . . . 0.0 111.175 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.469 ' CG ' ' HG ' ' A' ' 102' ' ' LEU . 52.7 Cg_endo -69.76 -166.34 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.698 2.265 . . . . 0.0 112.318 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -118.43 -34.65 3.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -101.2 -64.0 1.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.777 ' H ' HD23 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -64.02 78.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -92.59 -65.52 0.99 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.19 138.91 58.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -92.46 -34.85 13.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -143.09 132.68 23.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.477 ' O ' HG13 ' A' ' 107' ' ' VAL . 9.8 p -107.92 126.67 64.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.169 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.0 p -114.61 146.42 35.94 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.599 0.714 . . . . 0.0 111.158 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 110' ' ' SER . 53.8 Cg_endo -69.75 134.62 28.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.324 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 109' ' ' PRO . 18.9 p -35.68 127.1 0.66 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -85.61 -152.02 17.75 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 139.98 41.51 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.592 2.194 . . . . 0.0 112.376 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.5 t -146.43 169.23 19.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.801 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 67.2 m -43.65 160.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.782 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.512 -179.913 . . . . . . . . 0 0 . 1 stop_ save_