data_2dkq_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 2dkq _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 ' 15' ' ' LEU . . . . . . . . . . . . . 16.6 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.816 0.341 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.443 ' CZ ' ' HB3' ' A' ' 16' ' ' ARG . 9.0 mtp-105 -39.41 -38.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.414 ' O ' ' CZ ' ' A' ' 144' ' ' PHE . 27.2 mm-40 -94.59 130.22 41.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -140.66 142.47 12.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.22 121.4 36.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.783 0.325 . . . . 0.0 111.114 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.85 120.13 11.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.1 m -165.55 -178.67 5.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.829 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.454 ' HB2' ' CD2' ' A' ' 132' ' ' LEU . 5.5 m -82.37 144.53 30.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.2 m -127.32 178.09 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.078 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.47 ' CD1' HD21 ' A' ' 26' ' ' LEU . 3.2 tm? -109.21 110.79 22.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -78.75 108.81 12.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.47 HD21 ' CD1' ' A' ' 24' ' ' LEU . 85.6 mt -81.65 -72.96 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.966 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.444 ' O ' ' CB ' ' A' ' 128' ' ' LEU . 15.2 t -174.04 155.17 2.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 p -118.82 133.35 55.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 55.9 t -120.77 140.04 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -72.92 125.02 26.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 32' ' ' GLU . 64.8 p -110.54 34.87 3.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 31' ' ' THR . 2.2 pt-20 -34.64 -43.85 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.4 t -100.39 -33.25 10.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -74.83 153.51 38.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.926 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 t -171.23 169.61 6.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.34 -155.3 53.01 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -4.56 14.29 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.655 2.236 . . . . 0.0 112.363 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -86.88 -49.61 7.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.932 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -45.39 -45.08 12.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.2 t -61.43 -30.59 48.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.47 -39.49 67.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.9 ttt85 -56.65 -66.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -38.4 -49.17 1.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.084 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.9 m -54.49 -49.49 70.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.4 t -62.76 -37.25 85.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.826 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.5 -16.17 58.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.09 -32.36 56.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 mt -97.88 -27.82 14.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 m -64.2 -52.27 59.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 50.1 t -71.65 137.42 47.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.483 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 1.5 m -139.22 160.79 60.8 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.619 0.724 . . . . 0.0 110.888 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.4 Cg_endo -69.84 155.12 93.63 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.3 0.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 52' ' ' PRO . 2.8 ppt_? -34.26 144.32 0.19 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.559 0.695 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 160.02 51.26 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.715 2.277 . . . . 0.0 112.32 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.3 m -103.69 94.31 6.06 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.544 0.688 . . . . 0.0 111.184 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.434 ' HB2' ' CD1' ' A' ' 24' ' ' LEU . 54.2 Cg_endo -69.73 153.03 69.57 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.653 2.236 . . . . 0.0 112.371 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -131.13 156.47 45.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.0 m -84.6 133.6 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.4 m -140.62 -175.69 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.167 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.431 ' N ' ' O ' ' A' ' 71' ' ' THR . 57.9 t-80 -104.0 148.53 26.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -136.33 131.21 34.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -136.6 133.0 35.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.4 t -107.05 108.23 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.6 m -133.06 156.25 47.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.91 -21.28 28.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.07 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -76.04 -3.35 35.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 124.79 -129.71 7.16 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.435 HD13 ' CD1' ' A' ' 88' ' ' ILE . 94.2 mt -137.88 121.76 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.378 . . . . 0.0 111.092 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.3 m -111.64 140.78 45.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.91 146.91 52.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 60' ' ' HIS . 44.3 m -148.93 131.52 15.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -110.05 171.03 7.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -126.92 10.23 6.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -97.02 -34.03 11.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.414 ' NH1' ' HB2' ' A' ' 75' ' ' ARG . 25.8 mtm105 62.13 49.46 4.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.44 ' CE ' ' HA ' ' A' ' 76' ' ' LYS . 2.3 mmpt? -109.14 -70.62 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.6 mt -80.99 -28.99 35.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.931 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -169.28 172.53 7.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -108.84 -60.0 1.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -151.29 124.98 9.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -142.5 143.83 32.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -146.61 152.07 38.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -120.02 143.98 36.59 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.671 0.748 . . . . 0.0 110.918 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 153.96 68.04 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.626 2.217 . . . . 0.0 112.338 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.2 p -68.41 -19.71 24.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -75.21 -1.55 23.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.0 p -105.44 -63.96 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.435 ' CD1' HD13 ' A' ' 68' ' ' ILE . 24.5 mt -47.1 111.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.72 -26.89 8.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' ' 91' ' ' SER . 16.7 t80 -134.75 149.72 50.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.445 ' O ' ' CG2' ' A' ' 146' ' ' THR . 31.2 t -174.5 116.27 0.19 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.0 t -174.24 149.56 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.864 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -44.01 142.66 1.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.111 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.484 ' OD2' ' N ' ' A' ' 97' ' ' ASP . 0.5 OUTLIER -49.1 139.18 13.07 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.629 0.728 . . . . 0.0 110.852 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -38.75 7.48 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.741 2.294 . . . . 0.0 112.378 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -64.0 -7.63 9.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.484 ' N ' ' OD2' ' A' ' 94' ' ' ASP . 17.5 t70 47.34 38.74 7.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -77.56 160.81 28.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.42 ' NH1' ' HD3' ' A' ' 109' ' ' LYS . 31.5 mmt180 -118.68 149.79 40.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 56.6 t-105 -110.69 104.36 13.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.0 m -71.05 96.16 1.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.173 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -52.66 158.41 2.15 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.597 0.713 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 0.98 4.86 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.314 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -92.79 -24.13 18.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 112.42 42.67 0.95 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.475 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 15.4 t -153.85 155.69 36.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.877 0.37 . . . . 0.0 111.125 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 40.9 p -102.48 153.64 19.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.5 m -142.87 149.07 38.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.42 ' HD3' ' NH1' ' A' ' 99' ' ' ARG . 12.2 tptm -66.7 128.11 35.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 61.8 mt -89.35 135.28 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -147.23 152.06 37.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.16 169.38 41.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -132.21 171.47 13.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.906 0.384 . . . . 0.0 110.886 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.4 t -123.4 126.2 72.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.156 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -139.6 163.35 32.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.085 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.88 133.03 34.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.469 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 4.4 ttmm -47.22 140.46 6.89 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.609 0.718 . . . . 0.0 110.881 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 53.5 Cg_endo -69.73 -12.96 34.04 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.714 2.276 . . . . 0.0 112.345 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -106.28 -19.82 9.68 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.509 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 29.8 m -149.51 118.3 3.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.693 0.759 . . . . 0.0 110.861 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -29.63 23.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.689 2.259 . . . . 0.0 112.387 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 33.8 p90 -78.9 -6.27 55.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -108.43 116.78 32.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 124' ' ' ASN . 0.3 OUTLIER -99.12 146.95 25.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -153.28 119.89 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . 0.41 ' SG ' ' CG2' ' A' ' 31' ' ' THR . 7.4 p -89.64 149.16 22.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -115.98 115.05 25.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.444 ' CB ' ' O ' ' A' ' 27' ' ' THR . 8.8 tp -82.01 140.12 34.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -140.79 166.16 25.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -138.0 157.76 45.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -66.82 125.44 25.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.454 ' CD2' ' HB2' ' A' ' 22' ' ' SER . 7.1 tp -99.81 -52.99 3.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.921 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -115.55 147.47 38.91 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.621 0.724 . . . . 0.0 110.866 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -45.39 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.663 2.242 . . . . 0.0 112.364 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -43.56 -47.94 7.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -112.81 84.01 6.32 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 156.73 62.65 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.701 2.267 . . . . 0.0 112.357 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -51.24 -49.74 60.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -49.69 -42.38 36.31 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.518 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -70.95 -21.46 62.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.742 0.306 . . . . 0.0 111.087 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 68.2 mt -83.94 -69.08 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.098 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 2.0 m -47.23 -44.11 8.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 21.8 m -51.71 -63.27 1.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' PHE . . . . . 0.414 ' CZ ' ' O ' ' A' ' 17' ' ' GLN . 20.0 t80 -42.53 -37.42 1.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 45.7 mt -65.86 -59.2 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.11 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' THR . . . . . 0.445 ' CG2' ' O ' ' A' ' 91' ' ' SER . 50.6 p -58.81 -15.36 11.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -84.41 -43.56 14.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.958 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 53.1 t -94.81 -70.4 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -38.72 -59.96 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 6.1 mp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.906 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.5 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.83 0.348 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -38.47 -46.33 1.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -64.95 -50.92 64.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.04 137.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.11 120.53 31.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.831 0.348 . . . . 0.0 111.126 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.77 124.8 12.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.065 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.0 p -160.11 177.65 10.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.6 m -90.53 135.21 33.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.458 HG11 ' CG ' ' A' ' 61' ' ' PHE . 35.2 m -118.78 167.85 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.137 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -100.99 113.6 26.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -83.05 103.47 12.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.425 HD23 ' CD2' ' A' ' 100' ' ' TRP . 52.9 mt -75.01 -72.92 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.957 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.8 t -165.78 -179.79 5.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.3 m -141.58 122.34 14.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.3 t -116.53 152.51 18.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.131 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -75.35 125.09 28.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 78.3 p -121.59 37.54 4.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.109 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -44.65 -46.61 10.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.26 -26.75 18.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.436 ' CD1' ' HB3' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -81.0 152.34 28.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.865 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 7.8 t -167.91 -175.68 2.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.427 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . 45.25 -144.25 2.95 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -1.85 9.17 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.436 ' HB3' ' CD1' ' A' ' 34' ' ' LEU . 11.9 mt-30 -86.35 -46.98 9.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.72 -53.23 60.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.068 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.6 t -57.99 -35.93 54.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.141 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.411 ' HB3' ' CG ' ' A' ' 95' ' ' PRO . . . -73.27 -29.34 62.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.093 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -69.24 -64.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.23 -58.12 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 p -55.85 -49.12 74.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.0 t -51.73 -44.53 63.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 48' ' ' LEU . . . -71.87 -58.93 3.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.112 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -38.04 -26.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 46' ' ' ALA . 13.4 mt -99.22 -43.58 6.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.1 t -66.45 -53.72 32.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -67.55 148.57 51.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.499 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 1.2 p -149.56 159.55 36.11 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.666 0.746 . . . . 0.0 110.888 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.7 Cg_endo -69.82 167.32 71.63 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.623 -1.824 . . . . 0.0 112.353 0.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.04 143.06 98.26 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.622 0.725 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 164.12 35.71 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.721 2.281 . . . . 0.0 112.331 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 99.7 m -99.47 102.33 16.1 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.627 0.727 . . . . 0.0 111.187 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 171.17 14.91 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.695 2.263 . . . . 0.0 112.358 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.67 153.44 38.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.1 t -83.64 131.6 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.159 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.457 HG12 ' CZ ' ' A' ' 78' ' ' PHE . 25.6 m -142.08 173.59 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -93.59 150.04 20.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.458 ' CG ' HG11 ' A' ' 23' ' ' VAL . 16.6 t80 -135.05 139.15 44.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -150.87 150.2 30.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.3 t -134.75 117.03 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 t -142.77 -179.42 6.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.86 -14.66 35.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.08 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -91.48 14.87 13.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.71 -146.17 18.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.46 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.437 HG13 ' CD1' ' A' ' 88' ' ' ILE . 67.9 mt -103.78 142.52 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 111.147 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 54.5 m -133.98 136.1 43.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.175 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.4 mt -132.09 148.73 52.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.0 m -140.0 116.67 10.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.097 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -108.53 121.99 46.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -91.93 10.05 30.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -101.83 -18.41 15.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 52.8 mtt85 43.73 50.08 6.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.455 ' CE ' ' HA ' ' A' ' 76' ' ' LYS . 2.5 mmpt? -102.62 -63.33 1.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -97.56 -47.45 5.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.457 ' CZ ' HG12 ' A' ' 59' ' ' VAL . 22.7 p90 -147.77 121.19 9.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 79' ' ' PHE . 1.8 t80 -63.55 -72.43 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 32.3 ttt85 -145.54 122.52 11.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -124.85 135.05 52.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -120.07 122.85 42.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -111.35 127.93 26.14 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.707 0.765 . . . . 0.0 110.937 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.409 ' HG2' ' CB ' ' A' ' 87' ' ' SER . 54.1 Cg_endo -69.71 143.73 52.02 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.8 p -47.57 -45.56 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' A' ' 87' ' ' SER . 17.4 t30 -55.08 -61.98 1.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 86' ' ' ASN . 13.6 t -36.06 -40.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.824 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.437 ' CD1' HG13 ' A' ' 68' ' ' ILE . 69.2 mt -79.27 123.82 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 37.4 p -125.25 -24.3 4.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -139.33 138.5 36.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.472 ' O ' ' CG2' ' A' ' 146' ' ' THR . 4.1 t -165.98 112.3 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.6 t -161.88 149.67 14.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.1 p -47.83 162.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -67.06 140.28 95.84 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.652 0.739 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.411 ' CG ' ' HB3' ' A' ' 41' ' ' ALA . 53.8 Cg_endo -69.71 -42.25 3.63 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.72 2.28 . . . . 0.0 112.327 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -63.49 -15.42 57.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 51.75 30.42 6.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? -69.75 156.35 39.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 -107.67 138.06 44.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.425 ' CD2' HD23 ' A' ' 26' ' ' LEU . 35.0 t-105 -100.64 123.27 44.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 22.6 m -81.0 100.8 9.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -54.45 151.79 13.4 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.657 0.741 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 2.38 3.58 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.341 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -99.17 -25.37 14.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 115.31 58.3 0.35 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.2 t -167.82 149.77 5.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.905 0.383 . . . . 0.0 111.127 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 46.5 p -94.88 150.18 20.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.9 m -146.99 169.48 19.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 68.6 tttt -86.42 148.57 25.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 75.2 mt -103.17 142.7 16.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -160.93 166.91 27.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 177.5 -170.22 42.6 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.487 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -148.86 166.43 28.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.9 0.381 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.7 t -116.38 114.19 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -118.26 153.72 33.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -80.64 145.8 31.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.439 ' CG ' HG21 ' A' ' 125' ' ' VAL . 20.2 mtpt -64.8 148.37 97.32 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 0.0 110.902 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -33.02 17.43 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.687 2.258 . . . . 0.0 112.355 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -103.23 -21.69 9.8 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.486 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 56.0 m -119.15 83.9 25.89 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.639 0.733 . . . . 0.0 110.894 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -2.11 9.64 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.665 2.243 . . . . 0.0 112.303 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 6.8 p90 -103.13 -4.74 24.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -115.23 165.15 13.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -127.12 141.95 51.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.439 HG21 ' CG ' ' A' ' 117' ' ' LYS . 48.5 t -135.13 115.16 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 42.8 t -95.9 144.52 26.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -117.15 127.06 53.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 10.2 tp -86.91 140.22 29.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -145.16 172.52 12.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -147.67 137.45 22.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.435 ' O ' ' CD ' ' A' ' 131' ' ' GLU . 3.0 pp20? -52.49 115.17 1.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.4 HD23 ' N ' ' A' ' 133' ' ' ASP . 10.3 tt -83.15 -57.16 3.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.413 ' CG ' ' HD2' ' A' ' 134' ' ' PRO . 4.7 t70 -92.23 143.33 27.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.523 0.677 . . . . 0.0 110.866 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . 0.413 ' HD2' ' CG ' ' A' ' 133' ' ' ASP . 54.1 Cg_endo -69.75 -48.37 0.74 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.647 2.231 . . . . 0.0 112.356 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.52 -39.47 34.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.832 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -118.86 82.07 20.23 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.711 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 178.02 4.95 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.722 2.281 . . . . 0.0 112.367 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.24 -48.88 74.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.083 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -48.88 -46.54 31.99 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.464 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.58 -23.95 67.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.811 0.339 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 41.0 mt -79.03 -72.01 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.1 m -39.52 -43.92 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.44 ' O ' ' CG ' ' A' ' 147' ' ' LYS . 98.9 m -58.27 -55.01 40.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -55.52 -27.67 50.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 60.7 mt -75.7 -71.77 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' THR . . . . . 0.472 ' CG2' ' O ' ' A' ' 91' ' ' SER . 16.2 p -47.92 -20.51 0.32 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 143' ' ' THR . 21.8 mmtt -72.31 -52.61 15.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.463 HG11 ' N ' ' A' ' 149' ' ' LEU . 8.6 p -91.7 -49.97 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.093 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.463 ' N ' HG11 ' A' ' 148' ' ' VAL . 3.9 mm? -52.92 -63.92 0.99 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 6.5 mp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.899 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.0 mp . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.777 0.323 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.1 mtp85 -45.13 -47.41 12.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -68.34 -55.52 11.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.07 127.0 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.444 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.65 119.37 37.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.829 0.347 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.07 122.61 11.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.2 t -152.42 170.6 19.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.9 t -80.0 133.04 36.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.826 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.5 m -119.44 176.62 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.12 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -106.96 116.75 32.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -85.1 121.38 27.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.0 mt -93.9 -70.09 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.4 t -169.38 172.85 6.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.3 p -135.81 122.72 21.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.3 t -104.82 149.42 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -73.59 118.99 17.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 52.2 p -113.63 40.84 2.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -42.66 -48.1 5.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.0 t -101.15 -22.95 14.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.422 ' CD1' ' HB3' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -70.58 137.26 49.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 75.5 p -153.35 153.0 31.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.176 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.99 -142.72 29.98 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -25.13 28.73 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.71 2.274 . . . . 0.0 112.335 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.422 ' HB3' ' CD1' ' A' ' 34' ' ' LEU . 33.6 mt-30 -58.75 -50.57 73.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.82 -57.64 7.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.8 t -53.96 -39.61 41.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.93 -31.61 70.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.074 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.4 ttt85 -70.92 -58.8 3.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.32 -42.6 3.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.1 m -72.38 -54.64 8.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.7 m -43.92 -33.69 1.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 48' ' ' LEU . . . -82.81 -63.05 1.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.128 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -38.17 -26.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.104 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 46' ' ' ALA . 3.8 mt -99.22 -41.47 7.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 38.3 t -68.0 -53.55 25.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -67.14 148.21 52.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.521 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 6.2 m -145.95 156.62 51.3 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.648 0.737 . . . . 0.0 110.85 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.9 Cg_endo -69.75 176.02 34.21 Favored 'Cis proline' 0 C--N 1.341 0.139 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.315 -0.021 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.43 ' HD2' ' CH2' ' A' ' 100' ' ' TRP . 7.0 mtm105 -69.6 140.5 89.64 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.622 0.725 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 152.45 69.36 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.67 2.246 . . . . 0.0 112.34 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 47.9 m -87.78 110.03 31.65 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.589 0.709 . . . . 0.0 111.139 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 170.75 15.87 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.68 2.253 . . . . 0.0 112.381 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.0 144.36 22.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.6 m -82.66 133.81 28.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.7 m -144.42 165.82 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -79.85 153.5 29.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.824 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -144.99 133.65 22.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.4 ttpp -138.1 156.82 47.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.1 t -134.82 122.49 38.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.3 t -143.44 177.94 8.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.38 -27.64 64.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -72.01 -16.89 62.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 133.0 -134.48 7.56 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.5 mm -119.92 149.18 22.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.929 0.395 . . . . 0.0 111.104 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.2 m -138.66 116.39 11.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.174 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 18.9 mt -111.52 139.44 46.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.448 HG22 ' N ' ' A' ' 72' ' ' ASP . 59.3 m -125.13 140.66 52.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.544 ' OD1' ' CZ ' ' A' ' 78' ' ' PHE . 7.6 m-20 -121.99 135.32 54.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -105.61 -45.29 4.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -65.89 -23.12 66.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 56.25 47.43 19.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt -89.2 -56.53 3.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -94.31 -45.89 7.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.544 ' CZ ' ' OD1' ' A' ' 72' ' ' ASP . 47.6 p90 -151.26 173.45 14.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -107.04 -74.05 0.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -135.97 141.56 44.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -155.41 119.94 4.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -115.07 127.65 55.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -118.75 143.21 33.13 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.677 0.751 . . . . 0.0 110.947 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -169.75 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.321 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.416 ' CG2' HD12 ' A' ' 149' ' ' LEU . 10.9 p -97.01 -17.73 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.158 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -77.19 -30.89 54.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.826 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.4 t -63.17 -47.06 84.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.0 mt -72.38 116.53 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.132 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 17.3 p -111.17 -45.75 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -127.99 136.92 51.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.499 ' O ' ' CG2' ' A' ' 146' ' ' THR . 11.8 t -156.56 114.2 3.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.908 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.0 t -162.23 147.02 12.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.826 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.6 p -44.04 169.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.133 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -63.53 133.46 95.52 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.651 0.738 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -23.47 30.67 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.729 2.286 . . . . 0.0 112.342 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -83.52 -14.71 51.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 57.54 30.12 18.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -73.77 159.54 32.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.82 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.9 mmt85 -113.2 148.49 35.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.43 ' CH2' ' HD2' ' A' ' 53' ' ' ARG . 57.8 t-105 -109.35 119.19 38.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 59.5 m -78.71 91.69 4.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -47.0 160.08 0.35 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.633 0.73 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 0.33 5.83 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.666 2.244 . . . . 0.0 112.358 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -93.8 -33.41 13.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 121.13 42.49 0.47 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.44 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.7 t -149.87 155.18 39.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.342 . . . . 0.0 111.172 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 25.3 p -94.41 156.24 16.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.0 p -153.24 150.83 29.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.422 ' HB3' ' CD ' ' A' ' 131' ' ' GLU . 33.4 tttt -73.01 134.89 44.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 25.4 mt -94.73 137.86 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -151.71 151.22 31.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -162.76 172.38 38.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.466 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -134.2 157.65 45.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.893 0.377 . . . . 0.0 110.841 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 1.9 t -111.76 114.66 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.157 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -124.19 160.63 27.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -81.29 140.48 34.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.44 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 49.0 tttt -56.97 139.19 78.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.592 0.711 . . . . 0.0 110.896 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 53.6 Cg_endo -69.84 -8.16 22.9 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 2.27 . . . . 0.0 112.317 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -119.66 -35.23 0.93 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.518 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.2 m -119.15 98.13 50.69 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.659 0.742 . . . . 0.0 110.853 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.42 ' HD2' ' CZ3' ' A' ' 122' ' ' TRP . 53.9 Cg_endo -69.76 -8.49 23.74 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.671 2.247 . . . . 0.0 112.391 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . 0.568 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 29.0 p90 -98.34 16.35 21.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.568 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 43.1 mt-10 -145.7 133.05 20.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -105.13 143.17 33.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 2.4 t -133.53 131.86 57.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 15.7 p -102.17 147.56 26.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -122.23 110.93 16.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.794 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.549 ' O ' ' CD1' ' A' ' 129' ' ' PHE . 6.6 tp -75.47 150.89 38.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 128' ' ' LEU . 28.2 m-85 -152.36 171.5 17.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -139.58 165.96 25.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.058 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.422 ' CD ' ' HB3' ' A' ' 109' ' ' LYS . 98.2 mt-10 -75.63 110.14 9.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 9.6 tt -80.57 -45.1 17.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -122.21 146.59 47.21 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.599 0.714 . . . . 0.0 110.891 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -42.87 3.04 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -45.95 -48.89 16.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -111.0 86.47 6.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.599 0.714 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 161.57 45.43 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.676 2.25 . . . . 0.0 112.354 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -56.08 -48.46 76.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.083 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -51.13 -42.08 47.82 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.521 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.27 -21.54 66.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.752 0.311 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 34.1 mt -83.46 -73.28 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.4 m -40.66 -46.74 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.094 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 4.9 m -51.11 -63.83 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' PHE . . . . . 0.405 ' C ' ' CD1' ' A' ' 144' ' ' PHE . 6.1 t80 -53.68 -40.78 66.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 32.3 mt -54.52 -72.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 91' ' ' SER . 6.4 p -54.76 -36.59 65.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.412 ' NZ ' ' HB3' ' A' ' 147' ' ' LYS . 0.8 OUTLIER -45.43 -60.96 1.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.464 HG11 ' CD2' ' A' ' 149' ' ' LEU . 5.0 p -81.58 -37.46 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.136 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.464 ' CD2' HG11 ' A' ' 148' ' ' VAL . 1.0 OUTLIER -70.22 -71.07 0.26 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 146' ' ' THR . 2.3 mm? . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.5 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.848 0.356 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.3 mtp180 -46.89 -23.35 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -90.04 -56.03 3.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.26 155.16 1.81 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.529 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.95 123.55 40.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 111.078 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.95 121.08 9.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.058 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.0 t -160.83 171.71 18.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.5 m -86.28 136.26 33.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.408 HG22 ' CE2' ' A' ' 129' ' ' PHE . 18.1 m -125.14 169.08 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.161 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.401 HD12 ' C ' ' A' ' 24' ' ' LEU . 3.3 tm? -105.23 111.6 24.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -76.73 129.43 36.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.8 mt -98.6 -65.86 0.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.0 t -174.33 -179.88 1.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.1 p -138.12 115.57 11.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.4 t -106.82 105.58 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -46.28 128.34 9.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 32' ' ' GLU . 46.8 p -117.16 37.28 3.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.169 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 31' ' ' THR . 6.5 pt-20 -35.09 -43.85 0.22 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.2 t -94.56 -42.52 8.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -68.45 158.33 33.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.7 t -174.5 162.71 3.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.7 -155.54 37.39 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.533 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -11.19 30.32 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -84.07 -46.02 12.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -49.19 -34.33 14.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.9 t -66.99 -40.48 85.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.12 -48.41 76.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -44.32 -58.03 3.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.63 -40.96 41.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.0 m -64.6 -46.41 82.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 m -63.01 -42.11 99.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.02 -31.96 61.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.8 -32.37 72.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.3 mt -92.36 -40.51 10.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.0 t -67.22 -53.17 32.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 43.2 t -52.38 140.82 21.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.535 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 10.7 m -147.71 153.52 43.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.613 0.721 . . . . 0.0 110.897 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 51' ' ' SER . 54.2 Cg_endo -69.77 138.33 48.54 Favored 'Cis proline' 0 C--O 1.231 0.167 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.351 -0.059 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 52' ' ' PRO . 12.1 ptt85 -33.82 141.25 0.23 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.651 0.739 . . . . 0.0 110.876 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 167.98 22.87 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.72 2.28 . . . . 0.0 112.315 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 84.7 m -107.0 109.76 63.25 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.588 0.708 . . . . 0.0 111.139 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 174.94 8.83 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.679 2.252 . . . . 0.0 112.294 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.26 145.26 20.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.095 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.8 m -80.63 136.7 22.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.152 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.5 m -144.58 178.94 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -101.16 142.19 32.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -119.1 147.19 44.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -147.39 135.8 21.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.6 t -121.03 106.6 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.9 t -134.51 -179.94 5.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.49 -23.37 62.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -74.78 -12.97 60.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.11 -115.7 2.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.518 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.402 HG13 ' CD1' ' A' ' 88' ' ' ILE . 68.3 mt -143.55 133.35 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.902 0.382 . . . . 0.0 111.123 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.7 m -118.82 121.77 40.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.7 mt -116.2 143.36 45.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 37.4 m -140.5 144.85 36.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.084 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -130.17 143.23 50.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -83.9 -57.78 3.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 75' ' ' ARG . 3.9 mp0 -68.95 -14.11 62.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 74' ' ' GLN . 26.0 ptt180 34.77 39.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.3 mttm -57.77 -37.81 74.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.8 mt -113.69 -48.39 2.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -144.2 126.75 15.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.564 ' CD2' ' HB2' ' A' ' 80' ' ' ARG . 57.8 t80 -74.93 -73.05 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.564 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 12.0 ttm-85 -121.39 146.53 46.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -164.9 122.46 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -127.44 135.14 50.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -115.33 148.86 41.73 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.65 0.738 . . . . 0.0 110.944 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 170.66 16.06 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.329 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.0 p -77.14 -23.5 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -74.78 -50.25 17.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.0 p -39.43 -58.51 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.402 ' CD1' HG13 ' A' ' 68' ' ' ILE . 35.4 mt -57.7 108.37 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.182 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.9 p -102.9 -40.12 6.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.174 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -135.17 149.95 50.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.488 ' O ' ' CG2' ' A' ' 146' ' ' THR . 15.9 t -165.06 123.23 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.835 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.1 t -174.17 147.29 1.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.9 p -41.31 156.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -58.64 138.98 86.1 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.568 0.699 . . . . 0.0 110.844 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -51.26 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.717 2.278 . . . . 0.0 112.347 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -58.28 -26.45 63.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.4 t70 65.2 32.61 9.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -73.63 165.14 25.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -110.17 163.87 13.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 61.7 t-105 -126.65 105.4 8.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.9 m -72.01 96.99 1.8 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.176 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -51.4 156.41 2.09 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.643 0.735 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -0.63 7.17 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.67 2.247 . . . . 0.0 112.366 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -96.95 -23.01 16.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 111.38 61.87 0.48 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.528 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.1 t -168.72 149.28 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.903 0.382 . . . . 0.0 111.099 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 42.4 p -92.42 146.05 23.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.1 p -141.64 146.91 36.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 110' ' ' ILE . 1.0 OUTLIER -69.54 143.0 53.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.41 ' N ' ' HD3' ' A' ' 109' ' ' LYS . 87.5 mt -99.95 140.47 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.151 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.513 ' CZ ' HD13 ' A' ' 141' ' ' ILE . 10.7 p90 -162.9 155.75 19.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -172.79 -171.34 37.47 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.412 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 4.1 p90 -142.99 164.86 28.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.897 0.38 . . . . 0.0 110.875 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 10.9 t -106.72 111.38 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.17 163.42 19.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -85.26 154.82 21.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.458 ' CG ' HG12 ' A' ' 125' ' ' VAL . 15.1 mtpt -62.37 154.36 72.14 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.543 0.687 . . . . 0.0 110.931 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -51.13 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -90.03 -14.51 59.07 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.9 m -120.74 88.21 43.44 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.638 0.732 . . . . 0.0 110.872 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -3.77 12.7 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.677 2.251 . . . . 0.0 112.322 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 13.8 p90 -105.26 -0.01 26.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -111.52 168.62 9.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -128.15 141.94 51.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.458 HG12 ' CG ' ' A' ' 117' ' ' LYS . 1.9 p -152.1 107.04 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.167 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 12.1 t -81.27 145.33 30.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 -115.6 124.56 51.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.9 tp -89.21 149.99 22.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.42 ' N ' ' O ' ' A' ' 111' ' ' PHE . 33.3 m-85 -146.21 169.85 17.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -136.73 160.94 37.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -66.82 130.66 43.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 7.7 tt -109.81 -51.04 2.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.43 ' CG ' ' HD2' ' A' ' 134' ' ' PRO . 1.8 t70 -112.28 141.27 24.76 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.605 0.717 . . . . 0.0 110.852 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' ' 133' ' ' ASP . 54.0 Cg_endo -69.82 -25.37 28.39 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.671 2.247 . . . . 0.0 112.343 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.78 -43.88 91.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -111.14 94.35 20.94 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . 0.405 ' O ' ' N ' ' A' ' 140' ' ' ALA . 54.0 Cg_endo -69.79 141.04 44.05 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.68 2.253 . . . . 0.0 112.354 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.491 ' HB1' ' CG ' ' A' ' 111' ' ' PHE . . . -38.43 -48.47 1.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -57.54 -38.88 89.58 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 137' ' ' PRO . . . -62.27 -16.65 55.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.692 0.282 . . . . 0.0 111.067 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.513 HD13 ' CZ ' ' A' ' 111' ' ' PHE . 57.7 mt -87.7 -73.75 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.2 m -41.88 -38.16 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 86.9 m -56.31 -69.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -39.28 -38.32 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 37.3 mt -64.36 -67.2 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 91' ' ' SER . 58.2 p -53.19 -22.94 7.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -75.31 -41.72 56.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.448 ' O ' ' C ' ' A' ' 149' ' ' LEU . 79.7 t -96.7 -70.96 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.08 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 148' ' ' VAL . 4.0 mm? -34.29 -70.65 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 30.6 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.879 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.9 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.873 0.368 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -42.4 -42.95 3.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -58.04 -55.6 32.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.61 107.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.453 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.39 122.61 41.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.842 0.353 . . . . 0.0 111.104 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.47 128.33 15.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.3 m -157.53 171.48 20.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.0 m -80.4 131.44 35.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.1 m -115.9 173.74 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.409 ' CD1' ' HB2' ' A' ' 56' ' ' PRO . 2.5 tm? -108.98 112.97 25.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -85.22 100.35 11.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.497 ' CD2' ' CD1' ' A' ' 100' ' ' TRP . 41.1 mt -66.56 -67.07 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.6 t -173.01 165.59 5.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.7 p -126.5 126.26 43.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.6 t -111.34 142.83 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -73.27 115.97 13.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.4 p -112.47 38.78 2.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.186 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -39.4 -49.29 2.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.4 t -92.73 -37.29 12.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.873 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -66.94 135.19 53.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.5 p -146.02 173.87 11.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.45 -153.34 43.45 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -5.33 15.99 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.345 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -80.82 -40.21 25.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.49 -51.78 68.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.0 t -53.2 -44.16 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.14 -47.18 84.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.143 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.1 ttt85 -48.04 -56.27 8.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.28 -45.5 12.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.4 m -70.53 -63.35 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.7 m -40.96 -41.97 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.42 -39.74 62.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.063 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.89 -29.25 59.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.7 mt -99.08 -40.23 8.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.9 m -64.24 -51.62 62.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -73.88 153.61 39.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.499 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 1.5 m -151.47 160.79 31.25 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.636 0.731 . . . . 0.0 110.893 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.2 Cg_endo -69.81 177.55 28.61 Favored 'Cis proline' 0 C--O 1.231 0.156 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.32 0.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.518 ' HD2' ' CH2' ' A' ' 100' ' ' TRP . 17.5 mtm180 -62.0 143.02 95.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.582 0.706 . . . . 0.0 110.845 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 162.23 42.91 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.651 2.234 . . . . 0.0 112.381 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 94.1 m -100.66 99.17 9.46 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.586 0.708 . . . . 0.0 111.164 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.409 ' HB2' ' CD1' ' A' ' 24' ' ' LEU . 54.1 Cg_endo -69.73 152.57 69.5 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.736 2.29 . . . . 0.0 112.324 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -131.06 157.59 42.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.3 t -91.85 126.82 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.153 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.0 m -139.6 152.64 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -69.07 156.63 38.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -145.8 132.95 20.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.2 tttp -140.9 145.26 35.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.485 HG13 ' CE2' ' A' ' 144' ' ' PHE . 77.2 t -121.71 111.71 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.1 t -141.57 174.44 10.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -57.21 -59.41 5.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.075 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -39.93 -25.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . 137.0 -135.45 7.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.466 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 86.9 mt -123.43 131.08 73.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.905 0.383 . . . . 0.0 111.128 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.414 HG22 ' N ' ' A' ' 70' ' ' LEU . 28.0 m -116.91 140.56 49.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.414 ' N ' HG22 ' A' ' 69' ' ' THR . 6.9 mt -133.79 136.99 44.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.416 HG23 ' N ' ' A' ' 72' ' ' ASP . 93.5 m -127.42 147.9 50.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.416 ' N ' HG23 ' A' ' 71' ' ' THR . 9.4 t70 -131.56 144.63 51.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -105.98 -43.62 4.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 20.6 mp0 -69.44 -12.08 61.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 43.64 40.99 3.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.1 mttp -65.95 -45.93 80.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.6 mt -119.53 -45.44 2.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -143.89 168.82 19.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -107.33 -60.37 1.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.837 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -145.08 142.35 29.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -159.52 122.69 3.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -122.75 119.31 30.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.826 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -92.77 149.24 37.53 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.672 0.749 . . . . 0.0 110.917 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 85' ' ' VAL . 53.2 Cg_endo -69.76 131.28 20.9 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.263 . . . . 0.0 112.328 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 84' ' ' PRO . 14.5 p -35.95 -35.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 87' ' ' SER . 2.8 m120 -64.83 -52.69 55.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 86' ' ' ASN . 14.5 t -34.94 -58.77 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.3 mt -57.04 118.16 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 43.1 p -119.04 -47.74 2.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.095 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -122.96 122.69 39.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.6 t -146.19 112.02 5.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.821 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.8 t -164.76 149.09 9.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.433 ' CG2' HG22 ' A' ' 142' ' ' VAL . 16.8 p -44.17 145.84 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.153 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.428 ' CG ' ' HD2' ' A' ' 95' ' ' PRO . 2.1 t70 -47.36 140.8 7.05 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.587 0.708 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 94' ' ' ASP . 54.2 Cg_endo -69.76 -31.4 20.62 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.722 2.281 . . . . 0.0 112.336 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -75.07 -9.88 58.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 44.16 37.4 1.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -84.46 159.55 20.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -103.97 154.42 19.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.518 ' CH2' ' HD2' ' A' ' 53' ' ' ARG . 68.7 t-105 -118.45 109.79 16.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.5 m -62.66 105.09 0.6 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.08 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -61.74 161.5 20.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.63 0.728 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 2.95 3.07 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.69 2.26 . . . . 0.0 112.362 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -99.6 -39.49 8.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 142.65 -23.52 2.33 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.3 t -90.19 157.33 17.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.372 . . . . 0.0 111.132 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 68.4 p -98.86 155.81 17.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.158 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.3 p -134.54 163.78 28.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -84.17 127.05 33.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 89.6 mt -81.25 131.65 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.51 ' CD1' ' HB3' ' A' ' 138' ' ' ALA . 7.2 p90 -153.5 161.61 42.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 177.04 164.42 30.77 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.438 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -122.34 169.8 10.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.865 0.364 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 18.4 t -114.03 115.85 50.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.95 140.06 52.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.065 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -66.45 151.91 46.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.476 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 14.7 ttmm -69.76 139.58 88.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 0.0 110.92 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 54.0 Cg_endo -69.74 3.23 2.88 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.717 2.278 . . . . 0.0 112.353 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -126.2 -29.22 0.95 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.503 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.6 m -125.3 97.14 37.83 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.692 0.758 . . . . 0.0 110.85 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.423 ' HG2' ' CE3' ' A' ' 122' ' ' TRP . 54.2 Cg_endo -69.79 -13.51 34.69 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . 0.423 ' CE3' ' HG2' ' A' ' 121' ' ' PRO . 15.2 p90 -92.61 7.02 45.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -125.61 177.39 6.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -146.16 135.05 22.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 71.4 t -127.06 118.31 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 15.2 p -87.15 148.34 25.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -122.01 118.56 29.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.8 tp -84.29 140.26 31.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -146.34 174.03 11.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -156.41 130.91 8.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.467 ' HB3' ' N ' ' A' ' 138' ' ' ALA . 3.6 pt-20 -46.57 103.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 10.4 tt -73.47 -51.97 15.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -88.23 138.27 30.65 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.596 0.712 . . . . 0.0 110.875 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -43.18 2.79 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.673 2.249 . . . . 0.0 112.332 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -44.99 -46.74 11.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -114.9 108.26 48.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.605 0.717 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 170.78 15.75 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.698 2.265 . . . . 0.0 112.36 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.51 ' HB3' ' CD1' ' A' ' 111' ' ' PHE . . . -66.69 -43.63 83.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -54.21 -52.6 42.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.501 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -47.89 -30.64 4.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.771 0.319 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.44 HD13 ' CZ ' ' A' ' 111' ' ' PHE . 26.3 mt -75.17 -72.51 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.433 HG22 ' CG2' ' A' ' 93' ' ' THR . 3.8 m -40.3 -41.99 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 88.5 m -58.88 -56.34 23.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' PHE . . . . . 0.485 ' CE2' HG13 ' A' ' 63' ' ' VAL . 64.1 t80 -58.45 -33.4 69.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 90.1 mt -57.33 -73.17 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' THR . . . . . 0.449 ' CB ' HD13 ' A' ' 150' ' ' LEU . 22.0 p -53.19 -37.88 62.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.176 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -44.78 -61.14 1.7 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.465 ' CG1' HD22 ' A' ' 149' ' ' LEU . 7.1 p -81.1 -40.42 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.465 HD22 ' CG1' ' A' ' 148' ' ' VAL . 2.2 mm? -65.17 -70.99 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . 0.449 HD13 ' CB ' ' A' ' 146' ' ' THR . 8.1 mp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.423 ' CD2' HG22 ' A' ' 148' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.837 0.351 . . . . 0.0 110.926 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.64 -48.68 49.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.457 ' HG2' ' N ' ' A' ' 18' ' ' GLY . 2.0 pt20 -72.68 -37.2 67.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.457 ' N ' ' HG2' ' A' ' 17' ' ' GLN . . . 62.91 149.5 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.506 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.6 123.03 42.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.874 0.369 . . . . 0.0 111.098 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -147.52 119.34 8.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.6 m -155.82 170.82 21.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -79.8 155.9 27.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.6 m -140.79 175.73 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.136 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -108.63 110.49 21.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -81.55 104.64 12.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.0 mt -75.05 -65.84 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.924 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.4 t -174.87 160.04 2.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.7 p -119.85 116.0 24.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.453 HG11 ' N ' ' A' ' 30' ' ' GLU . 52.3 t -103.84 142.18 18.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.15 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.453 ' N ' HG11 ' A' ' 29' ' ' VAL . 7.1 mt-10 -72.16 117.96 14.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 65.9 p -114.24 37.11 3.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.168 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -38.11 -48.66 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 t -93.47 -34.1 13.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.849 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -71.85 139.85 49.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.959 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.2 t -154.01 165.66 35.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.67 -151.95 46.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.466 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -21.25 33.77 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 0.0 112.323 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -66.08 -46.45 77.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.32 -41.91 66.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.042 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.5 t -62.06 -48.67 87.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.18 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.44 -46.64 73.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.096 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.5 ttt85 -55.59 -64.1 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.23 -38.06 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.7 m -71.01 -42.34 69.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.3 t -64.95 -40.51 95.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.825 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.4 -33.98 75.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.079 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.14 -43.78 94.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.3 mt -76.32 -38.55 55.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.4 t -64.59 -50.29 67.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 36.9 t -44.01 138.64 2.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.495 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 27.8 m -149.59 127.92 5.92 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.693 0.759 . . . . 0.0 110.823 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.9 Cg_endo -69.68 140.39 60.03 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.342 -0.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.1 ptp85 -41.27 147.18 0.47 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.58 0.705 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 148.42 64.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.656 2.237 . . . . 0.0 112.332 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.6 m -90.8 114.25 60.73 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.624 0.726 . . . . 0.0 111.13 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 174.93 8.79 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.725 2.283 . . . . 0.0 112.377 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.08 154.1 37.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.085 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.7 m -90.03 132.62 34.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.9 m -143.79 171.92 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -92.5 140.78 29.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -125.51 121.61 34.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -129.96 140.42 50.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.48 HG13 ' CE2' ' A' ' 144' ' ' PHE . 80.4 t -128.2 111.85 25.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.108 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.4 t -139.22 -175.55 4.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.27 -23.38 62.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.082 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -76.63 -11.25 59.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.35 -120.42 4.86 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.431 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.5 mt -134.24 132.24 55.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.899 0.38 . . . . 0.0 111.098 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.5 m -118.56 140.09 50.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 56.1 mt -130.63 141.9 50.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.3 m -143.52 121.44 12.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.43 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 15.6 t70 -105.61 122.33 45.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -101.17 20.75 15.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 75' ' ' ARG . 25.7 mm-40 -111.33 -7.73 14.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 74' ' ' GLN . 58.2 mtm180 37.25 44.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -93.85 -56.41 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.7 mt -106.68 -44.97 4.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.43 ' CZ ' ' HB2' ' A' ' 72' ' ' ASP . 2.5 p90 -142.38 174.53 10.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -108.43 -58.67 1.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.0 mtp85 -140.66 154.95 46.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -165.35 126.53 1.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -141.02 133.15 27.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.419 ' OH ' ' CE1' ' A' ' 127' ' ' HIS . 17.4 m-85 -111.99 143.73 29.31 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.737 0.78 . . . . 0.0 110.908 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 149.11 66.58 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.653 2.235 . . . . 0.0 112.36 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 14.4 p -54.92 -18.53 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 87' ' ' SER . 10.4 t30 -79.08 -60.18 2.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 86' ' ' ASN . 10.6 t -36.14 -49.79 0.68 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 13.0 mt -60.74 123.96 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 81.8 p -124.37 -44.34 2.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -126.98 151.52 48.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.426 ' O ' ' CG2' ' A' ' 146' ' ' THR . 16.4 t -169.74 119.2 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.4 t -168.82 152.1 5.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.6 p -52.32 149.34 5.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -52.74 142.54 32.79 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.569 0.7 . . . . 0.0 110.855 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.43 ' HG2' ' NE2' ' A' ' 96' ' ' GLN . 54.0 Cg_endo -69.78 -34.11 15.18 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.683 2.256 . . . . 0.0 112.344 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.43 ' NE2' ' HG2' ' A' ' 95' ' ' PRO . 28.3 mp0 -76.17 -16.39 59.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 43.14 46.38 5.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -81.88 175.09 10.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -110.86 145.38 38.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 41.1 t-105 -108.36 102.72 11.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.1 m -72.51 94.66 1.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.174 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -50.11 160.59 0.66 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.665 0.745 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -7.08 20.13 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.342 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -88.25 -39.16 14.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 127.73 41.42 0.29 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.0 t -143.21 148.4 36.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.937 0.398 . . . . 0.0 111.125 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.8 p -95.21 156.78 16.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 67.0 m -158.67 156.03 29.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 47.6 tttt -69.24 159.74 32.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 60.1 mt -119.65 139.66 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.568 ' CD1' ' HB3' ' A' ' 138' ' ' ALA . 5.8 p90 -160.95 171.63 18.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 172.16 162.14 23.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -118.5 167.38 11.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.89 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.7 t -117.43 114.63 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.05 148.41 44.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -79.41 153.73 29.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.946 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.462 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 10.3 ttmm -71.01 139.76 85.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.587 0.708 . . . . 0.0 110.886 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.462 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 53.8 Cg_endo -69.71 -9.88 27.21 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.724 2.283 . . . . 0.0 112.353 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -119.6 -15.91 5.23 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.461 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 73.2 m -134.08 96.23 16.16 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.643 0.735 . . . . 0.0 110.861 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -1.36 8.34 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.678 2.252 . . . . 0.0 112.351 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . 0.567 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 36.2 p90 -112.44 -0.36 15.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.567 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 69.0 mt-10 -120.09 106.91 12.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -80.6 142.1 34.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 45.7 t -130.76 111.83 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.112 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 2.7 t -90.64 143.56 26.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . 0.419 ' CE1' ' OH ' ' A' ' 83' ' ' TYR . 28.3 m-70 -117.54 124.62 49.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.536 ' O ' ' CD1' ' A' ' 129' ' ' PHE . 13.5 tp -87.28 148.3 25.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.536 ' CD1' ' O ' ' A' ' 128' ' ' LEU . 42.1 m-85 -154.91 168.61 26.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -141.85 150.11 41.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.404 ' O ' ' CD ' ' A' ' 131' ' ' GLU . 2.7 pp20? -60.35 113.39 2.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 9.5 tt -84.72 -47.18 10.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.474 ' HB2' ' CG ' ' A' ' 136' ' ' GLN . 4.2 m-20 -94.87 139.75 22.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.589 0.709 . . . . 0.0 110.869 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -50.8 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.719 2.279 . . . . 0.0 112.341 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -51.99 -36.61 50.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.847 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . 0.474 ' CG ' ' HB2' ' A' ' 133' ' ' ASP . 5.9 pt20 -113.68 96.27 40.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.598 0.714 . . . . 0.0 110.946 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 162.33 42.45 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.677 2.252 . . . . 0.0 112.338 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.568 ' HB3' ' CD1' ' A' ' 111' ' ' PHE . . . -46.05 -49.14 16.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -49.79 -55.9 13.18 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.526 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -42.59 -25.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.752 0.311 . . . . 0.0 111.079 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 23.7 mt -81.12 -70.93 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 14.3 m -45.61 -44.48 4.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 43.4 m -50.81 -53.26 33.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' PHE . . . . . 0.48 ' CE2' HG13 ' A' ' 63' ' ' VAL . 70.2 t80 -58.79 -43.21 90.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 80.7 mt -52.04 -73.66 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' A' ' 91' ' ' SER . 44.3 p -48.83 -40.94 31.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.087 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -53.55 -41.05 66.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.423 HG22 ' CD2' ' A' ' 15' ' ' LEU . 94.8 t -94.44 -62.84 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -48.16 -69.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 6.6 mp . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.916 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.1 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.789 0.328 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.9 ttm-85 -67.96 -36.52 80.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -65.27 -48.59 72.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.53 129.01 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.535 ' HB1' ' CE2' ' A' ' 144' ' ' PHE . . . -127.39 121.45 30.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.336 . . . . 0.0 111.125 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.17 124.3 15.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.9 p -150.19 -178.05 6.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 m -88.39 140.52 29.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.426 ' CG1' ' HB2' ' A' ' 61' ' ' PHE . 32.7 m -124.42 152.42 30.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.118 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -98.62 108.39 21.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -77.76 125.31 29.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.486 HD22 ' CD2' ' A' ' 100' ' ' TRP . 32.9 mt -96.28 -67.01 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.6 t -169.87 -178.45 2.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.6 p -141.96 120.46 12.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.0 t -113.67 115.55 50.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -50.93 131.13 26.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.455 ' O ' ' C ' ' A' ' 32' ' ' GLU . 18.6 p -118.18 35.89 4.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.099 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 31' ' ' THR . 0.5 OUTLIER -33.79 -45.71 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 t -95.26 -35.2 11.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 31' ' ' THR . 1.7 mm? -72.62 151.68 42.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -170.48 156.23 5.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.78 -153.96 35.27 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.429 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 3.26 2.88 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.709 2.272 . . . . 0.0 112.321 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -96.99 -40.05 9.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.72 -42.14 78.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.088 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.5 t -59.72 -33.43 52.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 42' ' ' ARG . . . -67.64 -61.03 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 41' ' ' ALA . 37.5 ttt180 -35.94 -59.76 0.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.18 -60.2 1.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.4 m -54.43 -56.83 14.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.3 t -48.29 -34.14 9.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.19 -39.95 46.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.89 -31.1 66.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.4 mt -97.74 -38.64 9.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.2 t -64.28 -52.31 59.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -76.8 148.15 36.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.498 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 1.5 m -149.97 160.84 32.83 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.687 0.756 . . . . 0.0 110.849 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.9 Cg_endo -69.77 147.1 83.98 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.723 -1.782 . . . . 0.0 112.351 0.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.4 ptt-85 -39.58 144.59 0.48 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.607 0.718 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 162.59 41.46 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.754 2.303 . . . . 0.0 112.354 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.4 m -99.76 109.09 54.45 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.551 0.691 . . . . 0.0 111.142 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 173.1 11.45 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.723 2.282 . . . . 0.0 112.356 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.48 155.24 42.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.09 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.7 t -92.79 126.1 45.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.422 HG12 ' CZ ' ' A' ' 78' ' ' PHE . 30.2 m -142.12 179.56 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -103.47 165.12 11.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.426 ' HB2' ' CG1' ' A' ' 23' ' ' VAL . 12.4 t80 -143.14 138.81 30.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -144.25 136.54 26.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.9 t -117.68 115.83 49.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.157 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.0 m -139.17 179.78 6.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.813 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.91 -19.5 62.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.11 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -79.42 -20.5 47.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 132.96 -154.3 21.09 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.49 HD11 ' CE2' ' A' ' 113' ' ' PHE . 41.4 mt -103.11 143.46 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.884 0.374 . . . . 0.0 111.156 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 m -133.29 134.5 43.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.148 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.7 mt -127.58 106.99 9.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 56.8 m -106.85 139.55 41.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -131.42 143.67 50.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -111.42 19.55 18.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -97.39 -38.6 9.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.8 mtp180 56.14 30.79 17.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -100.67 -68.25 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.6 tp -75.51 -43.62 48.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.422 ' CZ ' HG12 ' A' ' 59' ' ' VAL . 4.5 p90 -162.43 -179.45 6.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.416 ' CG ' ' N ' ' A' ' 80' ' ' ARG . 37.2 t80 -118.15 171.15 8.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.416 ' N ' ' CG ' ' A' ' 79' ' ' PHE . 19.6 ttt-85 -40.36 144.12 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 33.3 mtp180 -147.87 120.05 8.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -112.64 142.42 45.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.507 ' CD1' ' N ' ' A' ' 83' ' ' TYR . 0.3 OUTLIER -128.85 145.48 56.59 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.644 0.735 . . . . 0.0 110.978 -179.856 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 170.33 16.79 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.731 2.287 . . . . 0.0 112.319 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.7 p -86.3 -12.78 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 39.6 m-20 -82.02 -18.47 43.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.7 t -84.2 -38.87 20.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.459 HD11 ' CD1' ' A' ' 68' ' ' ILE . 13.4 mt -75.26 116.95 18.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 32.9 p -121.63 -36.94 2.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -121.24 145.18 48.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.0 t -170.89 113.34 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.4 t -165.8 146.33 6.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.913 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.0 p -46.39 150.17 0.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -53.53 141.9 42.78 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.539 0.685 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.458 ' HG2' ' NE2' ' A' ' 96' ' ' GLN . 53.6 Cg_endo -69.74 -40.58 5.19 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.652 2.234 . . . . 0.0 112.38 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.458 ' NE2' ' HG2' ' A' ' 95' ' ' PRO . 28.6 mp0 -71.76 -18.23 62.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 49.7 45.88 24.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -83.92 160.18 21.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 -102.03 148.42 25.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.486 ' CD2' HD22 ' A' ' 26' ' ' LEU . 50.1 t-105 -111.05 116.58 31.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.5 m -78.32 98.39 5.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -64.33 160.68 48.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.627 0.727 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -8.46 23.66 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.696 2.264 . . . . 0.0 112.379 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -88.95 5.69 42.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 75.63 59.07 3.62 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.459 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.0 t -163.34 162.76 25.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 0.0 111.152 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 10.7 p -108.48 154.69 21.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 45.6 p -149.47 161.08 42.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -79.36 138.57 37.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 69.0 mt -94.72 139.61 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.535 ' CD1' ' HB3' ' A' ' 138' ' ' ALA . 5.5 p90 -158.84 173.15 16.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 170.48 170.58 34.94 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.49 ' CE2' HD11 ' A' ' 68' ' ' ILE . 2.5 p90 -128.44 159.26 35.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.6 t -106.62 116.79 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.182 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -129.82 146.41 51.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -66.89 149.21 50.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.475 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 28.9 ttmt -60.35 139.85 91.84 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.534 0.683 . . . . 0.0 110.901 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 53.3 Cg_endo -69.8 -8.79 24.5 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.705 2.27 . . . . 0.0 112.331 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -120.73 -3.66 10.99 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.463 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.416 ' HA ' ' HD2' ' A' ' 121' ' ' PRO . 12.3 m -158.24 105.0 1.7 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.64 0.733 . . . . 0.0 110.882 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 120' ' ' SER . 53.7 Cg_endo -69.73 -8.07 22.65 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.642 2.228 . . . . 0.0 112.364 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . 0.511 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 8.4 p90 -97.18 3.83 51.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.511 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 18.4 mt-10 -121.73 127.32 50.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.46 138.37 39.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.2 p -152.21 112.9 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 41.8 t -85.85 156.69 20.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -118.25 120.61 38.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.428 ' O ' ' CD1' ' A' ' 129' ' ' PHE . 10.5 tp -77.53 143.83 38.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.428 ' CD1' ' O ' ' A' ' 128' ' ' LEU . 24.2 m-85 -152.19 172.84 15.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -144.56 155.17 43.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.079 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.52 102.86 0.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.444 ' C ' ' CD1' ' A' ' 132' ' ' LEU . 0.2 OUTLIER -57.69 -59.45 5.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.96 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -100.33 150.36 36.86 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.612 0.72 . . . . 0.0 110.904 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -41.76 3.99 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.67 2.247 . . . . 0.0 112.31 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -53.87 -41.08 67.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -108.4 89.17 5.66 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.573 0.702 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 156.46 63.28 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.692 2.262 . . . . 0.0 112.343 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.535 ' HB3' ' CD1' ' A' ' 111' ' ' PHE . . . -49.01 -49.34 41.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.12 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -48.58 -48.76 28.29 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.459 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.04 -19.86 5.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.743 0.306 . . . . 0.0 111.101 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 32.7 mt -85.86 -73.83 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.7 m -43.98 -37.81 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 39.8 m -61.06 -57.22 13.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.193 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' PHE . . . . . 0.535 ' CE2' ' HB1' ' A' ' 19' ' ' ALA . 4.2 t80 -54.15 -35.43 62.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 65.1 mt -63.26 -72.21 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 44.9 p -50.06 -18.0 0.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.179 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 7.2 mtpp -74.36 -49.63 21.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.471 HG12 ' N ' ' A' ' 149' ' ' LEU . 7.2 p -96.64 -49.74 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.471 ' N ' HG12 ' A' ' 148' ' ' VAL . 4.3 mm? -55.58 -69.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 10.5 mp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.929 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.762 0.315 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.74 -41.27 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -70.44 -50.92 33.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.64 137.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.502 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.93 119.2 31.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.341 . . . . 0.0 111.063 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.51 121.23 13.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 p -156.03 167.67 29.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.7 m -79.14 133.98 36.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.513 HG22 ' CD1' ' A' ' 129' ' ' PHE . 32.0 m -119.81 178.45 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -108.58 113.58 26.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -89.31 95.96 10.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.506 HD23 ' CD2' ' A' ' 100' ' ' TRP . 48.6 mt -61.03 -66.9 0.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.6 t -172.74 165.09 5.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.164 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.3 t -117.95 115.73 25.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.0 t -102.08 129.25 53.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.168 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -65.24 117.6 8.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 32' ' ' GLU . 76.5 p -118.3 37.43 4.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 31' ' ' THR . 11.0 pt-20 -34.81 -48.43 0.39 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.406 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 22.7 t -94.55 -38.7 10.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.849 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -66.42 134.78 53.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.432 ' CG2' ' ND2' ' A' ' 124' ' ' ASN . 58.9 p -143.48 -176.92 5.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.95 -148.1 13.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -29.32 23.75 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.655 2.237 . . . . 0.0 112.361 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -57.99 -40.39 80.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.87 -47.25 75.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.087 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.6 t -59.31 -44.2 91.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.173 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 42' ' ' ARG . . . -60.9 -61.07 2.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.084 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 41' ' ' ALA . 14.3 ttt180 -36.95 -60.87 0.59 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.12 -51.75 3.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.074 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.0 m -59.76 -44.32 93.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 t -57.76 -43.61 85.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.85 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.12 -37.27 66.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.072 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.18 -34.6 64.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.046 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mt -98.85 -35.73 10.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.4 t -64.45 -52.33 58.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.841 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -73.04 146.83 45.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.507 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 3.8 m -149.87 157.75 37.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.702 0.763 . . . . 0.0 110.84 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.9 Cg_endo -69.71 130.25 16.24 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.724 -1.782 . . . . 0.0 112.331 -0.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.555 ' HD3' ' CH2' ' A' ' 100' ' ' TRP . 4.4 ptp85 -34.62 142.29 0.24 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.65 0.738 . . . . 0.0 110.854 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 145.47 57.38 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 98.1 m -77.11 116.43 57.36 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.595 0.712 . . . . 0.0 111.135 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 148.33 64.7 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.396 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -124.7 142.28 51.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.104 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.3 p -90.98 127.73 43.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.42 HG12 ' CA ' ' A' ' 72' ' ' ASP . 27.6 m -136.22 171.69 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -82.74 146.94 28.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -128.08 121.1 28.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -130.75 133.12 45.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.1 t -113.08 98.82 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -127.69 176.63 7.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.58 -47.73 84.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -45.93 -33.67 3.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 142.5 -129.49 3.87 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.469 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.4 mm -122.46 138.46 52.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 0.0 111.167 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.8 m -126.36 142.4 51.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.183 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.5 mt -144.02 132.51 22.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.5 m -130.65 137.09 49.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.42 ' CA ' HG12 ' A' ' 59' ' ' VAL . 30.3 t0 -113.25 -48.52 2.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.4 m120 63.61 25.08 14.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -106.16 -21.67 13.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 54.78 45.56 26.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -118.04 -48.2 2.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mt -112.19 -44.9 3.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.542 ' CG ' ' O ' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -165.79 106.6 0.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 78' ' ' PHE . 54.9 t80 -36.67 -60.31 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.414 ' HD3' ' C ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -173.9 147.16 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.846 -179.896 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -145.84 134.29 21.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -111.89 137.58 49.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -116.63 145.3 35.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.689 0.757 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -175.86 1.29 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.69 2.26 . . . . 0.0 112.364 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 13.7 p -92.36 -30.42 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.178 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 87' ' ' SER . 4.6 m-20 -69.15 -57.01 5.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 86' ' ' ASN . 94.9 p -35.99 -48.46 0.59 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.0 mt -59.36 129.16 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.138 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.4 p -132.91 -50.12 0.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -119.95 140.12 51.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.6 t -162.25 111.2 1.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.6 m -166.58 153.65 9.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.831 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.8 p -47.61 139.6 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.17 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -42.09 135.79 2.3 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.63 0.729 . . . . 0.0 110.856 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -6.6 18.98 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.322 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -95.34 -24.25 16.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 52.39 44.23 30.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -87.48 176.65 7.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -114.26 141.93 46.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.555 ' CH2' ' HD3' ' A' ' 53' ' ' ARG . 52.0 t-105 -108.02 102.61 11.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.9 m -69.62 92.53 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.16 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -48.65 156.13 0.91 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.642 0.734 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 0.08 6.19 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.742 2.295 . . . . 0.0 112.301 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -92.38 -43.48 9.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 134.25 41.01 0.16 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 29.3 p -146.53 164.79 31.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.895 0.378 . . . . 0.0 111.127 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.0 p -107.8 157.44 18.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 24.0 p -157.91 161.51 38.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -81.71 142.15 32.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 23.2 mt -98.77 126.46 51.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 129' ' ' PHE . 13.5 p90 -144.64 165.27 28.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 170.89 161.12 21.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -112.9 173.91 6.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 21.0 t -119.34 104.15 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.101 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -109.25 159.46 16.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.082 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -85.02 137.07 33.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.467 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 24.3 tttm -46.08 140.71 4.91 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.586 0.708 . . . . 0.0 110.878 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 54.0 Cg_endo -69.72 -14.34 36.06 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.728 2.285 . . . . 0.0 112.332 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -104.52 -34.4 3.6 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.518 ' HB3' ' CE2' ' A' ' 122' ' ' TRP . 74.5 m -131.71 121.12 17.95 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.64 0.733 . . . . 0.0 110.915 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.439 ' HD2' ' CZ3' ' A' ' 122' ' ' TRP . 53.7 Cg_endo -69.72 -28.11 25.83 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.71 2.273 . . . . 0.0 112.344 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . 0.518 ' CE2' ' HB3' ' A' ' 120' ' ' SER . 42.7 p90 -76.28 -22.96 54.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.507 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 21.9 mt-10 -96.8 116.87 29.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.432 ' ND2' ' CG2' ' A' ' 35' ' ' THR . 2.1 m-80 -98.92 139.43 34.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 93.0 t -125.76 115.54 43.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 12.7 p -80.16 130.45 35.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -105.84 108.95 20.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.422 ' CD2' HD12 ' A' ' 26' ' ' LEU . 8.2 tp -81.51 150.79 28.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.513 ' CD1' HG22 ' A' ' 23' ' ' VAL . 51.3 m-85 -151.88 171.12 18.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -145.16 145.0 31.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -53.91 119.92 5.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 7.3 tp -88.18 -52.22 5.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.431 ' CG ' ' HD2' ' A' ' 134' ' ' PRO . 5.7 t70 -111.45 140.17 22.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.614 0.721 . . . . 0.0 110.915 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . 0.431 ' HD2' ' CG ' ' A' ' 133' ' ' ASP . 53.9 Cg_endo -69.7 -25.55 28.76 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.06 -45.38 87.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -108.63 110.37 61.37 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.584 0.706 . . . . 0.0 110.911 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 151.73 68.81 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.659 2.239 . . . . 0.0 112.352 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -56.82 -39.1 73.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -55.39 -52.44 47.66 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.511 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -49.62 -36.07 23.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.79 0.329 . . . . 0.0 111.093 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 22.0 mt -70.84 -71.84 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 15.5 m -46.05 -45.1 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 98.4 m -58.6 -49.55 77.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -56.37 -44.59 80.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 93.9 mt -51.28 -62.88 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 58.9 p -59.02 -42.63 90.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.102 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -48.95 -43.74 40.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 91.8 t -91.3 -61.45 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.465 HD21 ' N ' ' A' ' 149' ' ' LEU . 4.1 mm? -48.89 -70.9 0.08 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 6.1 mp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.926 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.818 0.342 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.8 mmt-85 -52.33 -34.02 45.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -84.79 -74.89 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.94 140.63 3.32 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.53 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.12 119.7 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.782 0.325 . . . . 0.0 111.116 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -140.7 127.81 20.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.1 m -160.15 179.09 9.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 p -87.87 130.18 34.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.2 m -116.13 166.15 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.142 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.541 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 1.3 tm? -98.55 117.2 32.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.407 ' N ' HD13 ' A' ' 24' ' ' LEU . 68.1 t80 -88.83 116.75 27.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.1 mt -89.06 -69.5 0.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.9 t -174.4 173.69 2.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.147 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.6 p -135.99 128.11 29.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.804 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.3 t -111.3 132.52 59.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -59.6 116.14 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.403 HG21 ' CB ' ' A' ' 39' ' ' ALA . 61.7 p -114.28 42.84 2.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.148 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -42.42 -50.5 5.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 t -91.66 -30.07 16.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -75.23 136.98 40.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.2 t -153.73 170.47 20.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.12 -156.77 53.57 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.449 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 2.23 3.73 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.717 2.278 . . . . 0.0 112.341 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -88.06 -48.02 8.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.403 ' CB ' HG21 ' A' ' 31' ' ' THR . . . -52.16 -46.19 65.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.5 t -61.99 -23.92 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.83 -33.82 39.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.083 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 45' ' ' SER . 16.6 ttt85 -68.02 -60.1 2.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.31 -51.69 2.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 p -61.33 -32.82 72.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 49' ' ' SER . 5.5 t -62.29 -42.24 99.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.858 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.2 -30.35 54.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.093 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.74 -39.13 76.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.127 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mt -98.98 -34.44 10.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 45' ' ' SER . 45.2 t -65.37 -44.64 86.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 87.3 m -61.22 137.86 58.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.48 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 15.4 m -137.97 128.0 15.25 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.681 0.753 . . . . 0.0 110.852 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.48 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.8 Cg_endo -69.77 178.77 24.33 Favored 'Cis proline' 0 C--N 1.342 0.224 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.354 -0.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.7 mtt85 -83.8 150.26 58.69 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.623 0.725 . . . . 0.0 110.861 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 165.57 30.57 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.664 2.243 . . . . 0.0 112.337 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 93.8 m -105.45 118.63 55.17 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.578 0.704 . . . . 0.0 111.145 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 177.73 5.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.254 . . . . 0.0 112.339 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.36 141.02 18.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.1 m -80.91 131.12 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.1 m -144.33 -179.61 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -95.34 159.14 15.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -144.25 143.84 31.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -151.33 152.76 33.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.405 HG12 ' CE2' ' A' ' 144' ' ' PHE . 41.0 t -132.27 110.47 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.8 m -132.43 -175.94 3.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.3 -18.26 60.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.045 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -82.62 -19.24 38.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.08 -143.8 15.58 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.533 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.1 mt -116.15 129.85 71.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 111.133 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.1 m -113.4 123.96 51.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.3 mt -119.73 130.49 55.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 58.1 m -145.69 136.17 24.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.159 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 72' ' ' ASP . 0.6 OUTLIER -112.6 176.71 4.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.899 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.406 HD21 ' N ' ' A' ' 73' ' ' ASN . 1.9 m-80 -114.94 -17.02 11.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.51 -8.38 41.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 40.54 46.4 2.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.0 mmtm -80.48 -71.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.7 -40.74 63.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 81' ' ' ARG . 15.8 p90 -169.9 140.11 2.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -67.71 -66.99 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -123.99 146.17 48.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.462 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 18.6 ttm-85 -166.5 129.92 1.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -145.47 150.53 36.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -118.69 146.46 39.97 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.665 0.745 . . . . 0.0 110.924 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 147.75 63.62 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.679 2.253 . . . . 0.0 112.366 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 14.3 p -52.76 -32.35 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.158 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 87' ' ' SER . 30.6 t-20 -65.31 -63.77 1.02 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 86' ' ' ASN . 3.7 m -35.32 -47.5 0.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 50.2 mt -70.86 101.31 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.14 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 43.3 p -105.9 -22.46 12.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -140.76 150.09 42.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.0 t -171.13 114.86 0.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.8 p -167.76 155.15 8.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 28.7 p -46.34 159.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.115 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.414 ' CG ' ' HD2' ' A' ' 95' ' ' PRO . 7.9 t70 -65.23 139.63 97.61 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.589 0.709 . . . . 0.0 110.828 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.414 ' HD2' ' CG ' ' A' ' 94' ' ' ASP . 53.3 Cg_endo -69.77 -40.08 5.73 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 2.247 . . . . 0.0 112.313 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -55.62 -17.34 5.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.0 t0 49.48 33.42 5.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 70.2 mtt-85 -91.08 175.97 6.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.3 mmt85 -115.25 159.47 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 49.7 t-105 -110.16 112.9 25.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.2 m -70.7 95.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -49.1 156.12 1.02 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.601 0.715 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -0.15 6.52 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.703 2.269 . . . . 0.0 112.379 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -98.21 -31.28 12.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 126.3 28.28 1.02 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.44 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 75.0 p -129.45 171.99 11.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.854 0.359 . . . . 0.0 111.154 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.2 p -118.14 144.93 45.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.152 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.5 m -136.51 173.66 11.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -88.37 132.05 34.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 54.9 mt -90.76 138.38 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.415 ' O ' ' N ' ' A' ' 129' ' ' PHE . 8.0 p90 -157.99 166.94 31.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 176.18 -168.69 40.99 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -152.94 167.54 28.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.5 t -118.76 122.33 69.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.158 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -132.78 141.12 48.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.079 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 46.6 mttm -67.62 145.03 55.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.46 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 43.2 tttt -69.21 140.4 90.6 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.554 0.693 . . . . 0.0 110.934 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 54.0 Cg_endo -69.81 -24.93 28.91 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.669 2.246 . . . . 0.0 112.336 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -103.03 -29.38 5.8 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.466 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.474 ' HB3' ' CG ' ' A' ' 123' ' ' GLU . 59.1 m -120.76 82.53 34.78 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.645 0.735 . . . . 0.0 110.881 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -1.13 7.93 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.703 2.269 . . . . 0.0 112.379 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . 0.416 ' CD1' ' HG2' ' A' ' 123' ' ' GLU . 15.6 p90 -98.13 7.18 46.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.474 ' CG ' ' HB3' ' A' ' 120' ' ' SER . 0.5 OUTLIER -149.2 134.95 18.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -93.81 150.83 20.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 41.8 t -134.85 133.16 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.9 t -109.7 141.72 41.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -113.97 112.58 23.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 10.6 tp -75.14 148.79 39.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 111' ' ' PHE . 36.5 m-85 -151.6 172.02 16.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -149.99 159.17 44.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.063 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -61.59 130.63 46.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 10.3 tt -113.64 -48.21 2.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.425 ' CG ' ' HD2' ' A' ' 134' ' ' PRO . 4.4 t70 -110.79 141.08 23.37 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.547 0.689 . . . . 0.0 110.91 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . 0.425 ' HD2' ' CG ' ' A' ' 133' ' ' ASP . 53.8 Cg_endo -69.72 -38.5 7.79 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.248 . . . . 0.0 112.375 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -43.99 -49.41 8.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -116.83 109.23 43.4 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.569 0.7 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 164.72 33.53 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.674 2.249 . . . . 0.0 112.327 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.12 -32.61 74.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -66.59 -40.21 94.08 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.79 -29.62 66.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.75 0.31 . . . . 0.0 111.109 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 82.9 mt -73.63 -71.13 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.156 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 2.3 m -43.9 -49.13 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 86.3 m -51.73 -66.49 0.38 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.195 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' PHE . . . . . 0.405 ' CE2' HG12 ' A' ' 63' ' ' VAL . 12.6 t80 -39.56 -48.25 2.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 27.0 mt -54.52 -64.56 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 45.1 p -53.67 -17.51 2.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.167 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -86.93 -43.55 12.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 42.9 t -94.84 -65.89 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 149' ' ' LEU . 4.4 mm? -46.43 -46.75 18.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.95 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 5.0 mp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.871 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.8 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.796 0.331 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.8 mtt-85 -52.93 -28.43 23.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -72.26 -67.81 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.36 131.26 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.18 122.68 41.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.788 0.328 . . . . 0.0 111.093 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.2 126.32 18.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.2 m -161.16 175.71 12.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.7 m -90.34 126.64 35.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.8 m -111.15 177.01 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.503 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 2.0 tm? -106.14 114.1 28.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -80.38 108.21 13.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.452 HD23 ' CG ' ' A' ' 100' ' ' TRP . 36.4 mt -78.47 -70.7 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.4 t -174.49 165.45 3.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.0 p -129.12 131.2 47.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.7 t -119.87 151.56 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.068 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -71.78 126.86 30.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 32' ' ' GLU . 34.7 p -122.29 38.51 4.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.156 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 31' ' ' THR . 3.4 pt-20 -36.92 -60.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.46 -18.68 26.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.444 ' CD1' ' HB3' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -79.98 141.82 35.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.9 t -161.03 173.3 15.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.84 -144.23 46.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.483 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -7.66 21.61 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.711 2.274 . . . . 0.0 112.321 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.444 ' HB3' ' CD1' ' A' ' 34' ' ' LEU . 34.4 mt-30 -79.47 -59.37 2.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -45.01 -33.14 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.2 t -78.88 -29.94 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 38' ' ' GLN . . . -80.86 -17.14 51.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 -80.88 -62.9 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.14 -47.45 9.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.6 m -51.89 -41.23 61.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.4 m -66.49 -42.93 86.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.55 -14.12 60.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.082 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.11 -31.29 27.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.2 mt -94.22 -40.32 10.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 50' ' ' CYS . 29.1 t -65.51 -51.96 56.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 49' ' ' SER . 2.8 t -35.49 151.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.478 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 1.7 t -162.1 126.63 2.03 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.661 0.743 . . . . 0.0 110.877 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.478 ' C ' ' HA ' ' A' ' 51' ' ' SER . 54.1 Cg_endo -69.75 142.37 69.86 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.715 -1.785 . . . . 0.0 112.337 -0.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -42.5 151.62 0.37 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.63 0.729 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 145.64 57.91 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.629 2.22 . . . . 0.0 112.37 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.3 m -90.71 111.18 46.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.591 0.71 . . . . 0.0 111.131 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 170.68 16.0 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.677 2.251 . . . . 0.0 112.332 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.47 153.18 33.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.5 m -81.11 133.35 29.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.542 HG13 ' CE1' ' A' ' 78' ' ' PHE . 35.7 m -143.55 -176.35 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.196 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 -100.45 156.87 17.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -145.15 115.9 7.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -123.78 138.87 54.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 64.1 t -117.62 101.85 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 m -125.65 -179.47 4.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.89 -22.81 52.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.08 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -75.85 -16.21 60.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.59 -140.72 11.99 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.452 HG12 ' CD1' ' A' ' 88' ' ' ILE . 9.2 mm -118.08 130.44 72.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.863 0.363 . . . . 0.0 111.136 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.3 m -119.01 118.38 31.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.19 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -113.92 150.31 33.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 45.1 m -145.53 155.41 43.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -138.97 145.08 39.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -96.57 -38.16 10.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 75' ' ' ARG . 53.1 mm-40 -83.51 1.37 42.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 74' ' ' GLN . 55.6 mtt180 34.61 40.69 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.5 mmtm -62.17 -65.83 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -96.92 -51.85 4.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.542 ' CE1' HG13 ' A' ' 59' ' ' VAL . 42.6 p90 -132.16 148.75 52.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -93.05 -68.93 0.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -132.81 120.13 21.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -132.1 147.43 52.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -157.91 123.23 4.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -113.02 147.16 36.66 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.685 0.755 . . . . 0.0 110.943 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -173.65 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.313 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.8 p -96.39 -12.36 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.108 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -83.89 -18.57 37.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 53.6 p -77.29 -59.61 2.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.452 ' CD1' HG12 ' A' ' 68' ' ' ILE . 22.1 mt -56.59 129.4 18.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 52.7 p -126.82 -28.86 2.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -133.9 150.59 51.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.8 t -172.35 115.08 0.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.842 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.9 t -168.32 147.18 4.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.5 p -40.24 161.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.469 ' OD2' ' N ' ' A' ' 97' ' ' ASP . 15.6 t70 -58.19 133.92 84.46 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.665 0.745 . . . . 0.0 110.822 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.406 ' CG ' ' HB3' ' A' ' 41' ' ' ALA . 53.5 Cg_endo -69.82 -32.35 18.49 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.317 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 43.8 mm-40 -81.67 -11.23 59.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.469 ' N ' ' OD2' ' A' ' 94' ' ' ASP . 1.3 m-20 54.76 28.42 10.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -72.93 153.14 41.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -104.9 160.81 14.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.452 ' CG ' HD23 ' A' ' 26' ' ' LEU . 52.0 t-105 -124.3 120.71 32.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 60.7 m -80.57 94.88 6.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.108 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -46.75 159.49 0.37 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.657 0.742 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -4.94 15.07 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.659 2.24 . . . . 0.0 112.299 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -89.11 -33.19 17.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 122.91 52.27 0.21 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.475 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.0 t -163.9 151.58 12.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.359 . . . . 0.0 111.143 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 39.9 p -89.54 152.38 21.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.7 p -143.35 152.09 41.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.422 ' HD3' ' N ' ' A' ' 110' ' ' ILE . 5.0 tmtm? -70.4 132.41 45.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.422 ' N ' ' HD3' ' A' ' 109' ' ' LYS . 96.5 mt -91.21 140.19 16.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.527 ' CD1' ' HB3' ' A' ' 138' ' ' ALA . 3.9 p90 -161.47 164.56 29.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 177.06 -169.79 42.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.541 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -153.92 158.26 40.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.916 0.388 . . . . 0.0 110.871 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.0 t -102.46 126.14 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -131.73 148.56 52.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.107 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -78.44 136.75 37.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.467 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 64.3 tttt -56.88 139.79 77.4 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.606 0.717 . . . . 0.0 110.858 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 54.3 Cg_endo -69.76 -19.08 36.61 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.734 2.29 . . . . 0.0 112.355 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -110.59 -23.94 5.77 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.506 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.481 ' HB3' ' CG ' ' A' ' 123' ' ' GLU . 62.5 m -121.26 81.54 37.49 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.671 0.748 . . . . 0.0 110.875 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.451 ' HD2' ' CZ3' ' A' ' 122' ' ' TRP . 53.0 Cg_endo -69.84 -1.98 9.46 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.688 2.259 . . . . 0.0 112.313 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . 0.497 ' CD1' ' HG2' ' A' ' 123' ' ' GLU . 36.1 p90 -91.39 -17.21 26.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.497 ' HG2' ' CD1' ' A' ' 122' ' ' TRP . 0.8 OUTLIER -122.6 179.05 4.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -136.42 153.93 50.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.4 t -140.04 140.82 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 26.0 p -102.55 158.01 16.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -133.94 101.47 5.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.573 ' O ' ' CD1' ' A' ' 129' ' ' PHE . 10.9 tp -71.79 151.8 43.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 128' ' ' LEU . 27.0 m-85 -153.97 165.45 36.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -135.32 139.75 44.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.435 ' O ' ' CD ' ' A' ' 131' ' ' GLU . 2.1 pp20? -54.02 108.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 9.5 tt -79.06 -51.68 9.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -88.42 128.12 54.28 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.58 0.705 . . . . 0.0 110.833 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -35.63 12.1 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.653 2.235 . . . . 0.0 112.337 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -55.25 -28.56 54.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . 0.461 ' O ' ' CG ' ' A' ' 136' ' ' GLN . 8.2 pt20 -129.46 118.49 19.05 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.634 0.73 . . . . 0.0 110.882 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 149.41 66.65 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.648 2.232 . . . . 0.0 112.321 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.527 ' HB3' ' CD1' ' A' ' 111' ' ' PHE . . . -47.64 -28.06 2.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.123 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -66.89 -39.24 93.35 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -59.29 -14.28 10.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.748 0.309 . . . . 0.0 111.106 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 89.8 mt -89.15 -55.15 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 2.6 m -62.53 -32.98 57.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 54.6 m -61.23 -49.11 78.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.186 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' PHE . . . . . 0.5 ' CE1' HG21 ' A' ' 148' ' ' VAL . 11.3 t80 -60.95 -34.14 74.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 149' ' ' LEU . 64.5 mt -61.37 -66.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 54.0 p -52.85 -28.11 21.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -71.49 -42.67 67.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.5 HG21 ' CE1' ' A' ' 144' ' ' PHE . 33.2 t -93.64 -60.57 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 145' ' ' ILE . 1.1 mm? -53.05 -65.83 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 6.2 mp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.912 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.1 mt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.778 0.323 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -48.18 -47.03 35.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -74.8 -62.91 1.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.36 145.33 0.39 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.451 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.22 122.07 36.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.821 0.343 . . . . 0.0 111.077 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.94 125.88 25.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.414 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 29.7 p -156.45 168.43 27.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.3 m -85.15 131.83 34.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.2 m -113.92 173.38 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.119 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.504 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 1.5 tm? -105.29 109.75 21.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -80.95 110.56 16.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.523 HD21 ' CD1' ' A' ' 100' ' ' TRP . 74.1 mt -80.07 -70.9 0.48 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.2 t -175.05 142.89 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 t -101.93 116.99 33.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.4 t -101.42 138.63 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.13 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -64.07 119.48 10.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.402 ' CG2' ' SG ' ' A' ' 126' ' ' CYS . 56.1 p -115.79 42.51 2.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.134 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -51.81 -47.02 64.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.3 t -87.93 -26.44 22.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.833 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mt -87.35 164.92 15.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.8 t -175.1 164.02 3.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.02 -133.27 36.86 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.481 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -46.14 1.33 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.661 2.241 . . . . 0.0 112.318 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 41' ' ' ALA . 1.0 OUTLIER -46.09 -66.41 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.917 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 38' ' ' GLN . . . -36.19 -45.63 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.2 t -59.31 -41.35 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 38' ' ' GLN . . . -66.14 -47.9 72.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.5 ttt85 -48.68 -55.51 11.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.827 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.45 -56.09 5.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 p -61.16 -59.37 5.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -43.09 -39.66 2.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.0 -36.63 59.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.111 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.21 -36.93 66.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.459 ' N ' HD11 ' A' ' 48' ' ' LEU . 3.8 mp -95.72 -36.56 11.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 49.9 m -63.99 -53.23 53.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -73.85 146.8 43.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.522 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 21.7 p -147.73 153.95 43.54 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.678 0.751 . . . . 0.0 110.867 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.2 Cg_endo -69.71 162.9 83.04 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.344 -0.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.3 mtt85 -59.42 141.67 87.58 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.543 0.687 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 156.31 63.71 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.663 2.242 . . . . 0.0 112.358 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 48.2 m -94.46 112.69 58.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.595 0.712 . . . . 0.0 111.135 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 166.22 28.33 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.711 2.274 . . . . 0.0 112.306 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -137.41 144.88 42.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 75.6 t -82.1 125.35 39.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 10.5 m -141.75 159.33 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -77.5 169.17 18.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.414 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 6.3 t80 -144.18 134.93 25.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.7 tptt -145.71 136.47 24.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.7 t -124.1 116.82 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.2 m -141.27 -175.83 4.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.7 -44.3 97.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.065 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -59.41 -20.29 53.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 133.12 -125.52 4.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.462 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 95.2 mt -130.51 137.58 55.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.914 0.388 . . . . 0.0 111.107 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.436 HG21 ' N ' ' A' ' 70' ' ' LEU . 31.8 m -116.1 142.09 47.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.436 ' N ' HG21 ' A' ' 69' ' ' THR . 9.4 mt -139.06 147.49 42.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.952 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.1 m -145.28 117.24 8.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -110.94 137.91 47.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -80.83 -52.47 7.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 76' ' ' LYS . 23.2 mm-40 -73.53 -22.82 59.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 74' ' ' GLN . 43.2 ptt85 36.05 33.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 74' ' ' GLN . 28.4 mttm -56.23 -37.68 70.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -102.13 -38.88 7.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -166.63 154.58 9.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.569 ' CD2' ' HG3' ' A' ' 80' ' ' ARG . 32.7 t80 -101.73 169.55 8.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.84 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.569 ' HG3' ' CD2' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -34.53 134.4 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -144.86 124.81 13.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -100.81 120.07 39.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -108.43 141.39 23.13 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.715 0.769 . . . . 0.0 110.92 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 156.26 63.89 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.1 p -61.63 -26.93 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.172 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 87' ' ' SER . 2.4 t30 -63.91 -63.4 1.17 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 86' ' ' ASN . 59.7 m -36.55 -52.2 0.86 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.1 mt -62.94 93.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 70.5 p -102.19 -42.38 6.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -128.59 139.38 52.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.404 ' HB2' ' CB ' ' A' ' 113' ' ' PHE . 15.9 t -160.22 105.84 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.832 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.9 t -155.97 153.64 29.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.819 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.9 p -46.04 165.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.13 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -67.73 139.45 93.71 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.595 0.712 . . . . 0.0 110.874 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -29.57 23.34 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.626 2.217 . . . . 0.0 112.366 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -75.92 -24.82 55.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 42.0 t0 56.33 44.7 24.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -89.29 170.98 10.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.7 mmt85 -111.22 136.06 50.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.523 ' CD1' HD21 ' A' ' 26' ' ' LEU . 41.6 t-105 -98.48 104.55 16.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.8 m -70.36 95.77 1.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.16 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 -47.16 161.22 0.31 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.609 0.719 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 2.56 3.44 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.357 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -102.14 -29.53 11.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 122.76 18.18 3.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.516 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.7 p -115.4 155.89 26.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.909 0.385 . . . . 0.0 111.103 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 32.8 p -106.26 155.0 19.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.4 m -152.24 175.21 12.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -89.32 138.74 31.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 86.0 mt -95.58 132.32 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.42 ' O ' ' N ' ' A' ' 129' ' ' PHE . 4.5 p90 -154.54 168.36 26.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 168.62 157.27 11.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.404 ' CB ' ' HB2' ' A' ' 91' ' ' SER . 8.8 p90 -114.04 168.91 9.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 0.0 110.873 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 17.0 t -118.38 117.48 54.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.56 149.09 43.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -73.07 153.7 40.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 46.1 tttt -73.75 133.75 79.25 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.528 0.68 . . . . 0.0 110.918 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -16.36 37.38 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.653 2.235 . . . . 0.0 112.359 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -104.0 -20.94 9.96 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.472 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.3 m -138.16 106.34 7.98 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 0.0 110.822 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -5.24 15.77 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.29 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . 0.518 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 29.5 p90 -110.96 17.08 20.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.518 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 35.4 mt-10 -139.22 115.66 10.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.28 146.73 23.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 95.4 t -134.26 125.8 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . 0.402 ' SG ' ' CG2' ' A' ' 31' ' ' THR . 20.7 p -93.82 142.92 26.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -115.29 103.48 10.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 9.3 tp -67.89 152.61 45.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.42 ' N ' ' O ' ' A' ' 111' ' ' PHE . 36.7 m-85 -158.36 174.26 15.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -155.08 139.16 16.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.413 ' O ' ' CD ' ' A' ' 131' ' ' GLU . 2.2 pp20? -52.28 117.83 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.9 tt -91.52 -58.77 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -86.69 130.84 47.39 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.624 0.725 . . . . 0.0 110.852 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -12.25 32.59 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.36 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 136' ' ' GLN . 5.5 p-10 -73.8 -21.29 60.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . 0.476 ' N ' ' OD1' ' A' ' 135' ' ' ASP . 21.5 mm-40 -140.81 104.92 6.28 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.589 0.709 . . . . 0.0 110.941 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 144.1 53.32 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.66 2.24 . . . . 0.0 112.408 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -39.4 -49.48 2.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.1 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -45.69 -58.55 5.34 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.468 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -45.79 -39.01 7.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 67.3 mt -67.59 -69.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.4 m -43.61 -46.23 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 30.6 m -59.35 -51.5 69.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.162 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -53.7 -36.82 62.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 92.0 mt -62.82 -73.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.091 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 73.1 p -49.05 -32.38 9.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -55.2 -50.93 68.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.444 ' CG1' ' N ' ' A' ' 149' ' ' LEU . 9.1 p -94.96 -53.2 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.444 ' N ' ' CG1' ' A' ' 148' ' ' VAL . 3.9 mm? -51.72 -70.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 6.7 mp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.901 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.762 0.315 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -32.28 58.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.46 ' HG2' ' N ' ' A' ' 18' ' ' GLY . 52.9 tt0 -64.91 163.51 14.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.46 ' N ' ' HG2' ' A' ' 17' ' ' GLN . . . -159.96 132.56 3.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.473 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.01 120.03 37.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.04 120.9 18.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.1 t -159.54 177.33 11.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.0 m -88.34 129.16 35.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.2 m -115.06 179.45 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -111.69 123.91 51.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -95.11 116.64 28.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.484 HD22 ' CD2' ' A' ' 100' ' ' TRP . 19.9 mt -85.91 -71.11 0.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.3 t -174.19 150.77 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.2 p -115.15 114.39 25.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.9 t -98.98 123.87 51.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.185 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -53.0 129.15 29.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.461 ' CG2' ' HB1' ' A' ' 39' ' ' ALA . 16.1 p -119.53 36.32 4.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.094 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 31' ' ' THR . 12.2 pt-20 -35.66 -49.71 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.5 t -93.71 -27.57 16.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -76.69 139.97 40.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.4 p -151.15 166.53 30.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.79 -154.11 52.99 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.513 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -9.98 27.42 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.692 2.262 . . . . 0.0 112.319 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -79.07 -36.15 41.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.461 ' HB1' ' CG2' ' A' ' 31' ' ' THR . . . -64.73 -26.16 68.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.075 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.5 t -79.2 -40.88 22.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.66 -49.04 76.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.093 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -46.89 -60.14 2.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.36 -53.61 2.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.075 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m -45.77 -63.67 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.86 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 m -47.03 -43.36 19.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.79 -28.04 68.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.084 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.86 -54.62 17.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.072 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.4 mp -75.17 -32.11 61.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.9 t -64.89 -39.06 92.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 23.6 t -60.5 139.14 57.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.501 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 3.1 m -146.82 128.74 7.53 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.696 0.76 . . . . 0.0 110.887 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.6 Cg_endo -69.78 143.5 74.08 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.36 0.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 52' ' ' PRO . 23.3 ptt85 -34.45 151.08 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.562 0.696 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 149.9 67.37 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.311 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 37.4 m -95.04 104.96 16.54 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.613 0.721 . . . . 0.0 111.158 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 173.27 11.2 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.367 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.84 156.54 42.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.2 m -91.14 129.0 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.7 m -144.27 152.22 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -75.67 148.15 38.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.496 ' CZ ' HG22 ' A' ' 68' ' ' ILE . 10.6 t80 -136.01 143.4 44.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -145.46 150.41 36.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.7 t -119.97 115.49 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.7 m -134.64 171.37 14.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.32 -33.19 75.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.142 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -66.8 -11.42 55.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 131.68 -126.92 4.85 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.476 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.496 HG22 ' CZ ' ' A' ' 61' ' ' PHE . 96.5 mt -130.22 130.11 65.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.917 0.389 . . . . 0.0 111.132 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.5 m -111.26 136.63 50.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 55.6 mt -128.05 141.81 51.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 32.2 m -134.05 125.56 28.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -115.5 134.04 55.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -99.57 -30.67 12.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.424 ' O ' ' C ' ' A' ' 75' ' ' ARG . 37.1 mm-40 -78.74 -4.75 50.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 74' ' ' GLN . 68.6 mtp180 35.03 39.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -79.02 -50.39 11.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -98.39 -43.52 6.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -168.63 120.71 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -45.46 -69.13 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.848 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -143.67 156.75 44.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -163.96 130.93 3.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.845 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 37.6 t-80 -114.45 138.66 50.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -124.04 143.2 41.78 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.715 0.769 . . . . 0.0 110.911 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 172.2 13.12 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.713 2.275 . . . . 0.0 112.298 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.6 p -87.75 -21.09 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -74.11 -37.18 64.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.5 p -57.47 -51.6 68.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 50.6 mt -61.3 97.78 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.19 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 71.9 p -101.7 -10.04 20.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -157.54 147.68 20.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.8 t -172.8 110.12 0.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.85 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.1 t -161.16 146.61 14.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.821 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -41.42 151.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.113 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -60.13 132.92 90.14 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.593 0.711 . . . . 0.0 110.845 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -43.78 2.46 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.678 2.252 . . . . 0.0 112.369 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -50.58 -19.95 1.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.2 t70 54.27 30.84 13.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -78.43 159.74 28.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 58.1 mmt-85 -107.73 153.19 23.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.484 ' CD2' HD22 ' A' ' 26' ' ' LEU . 64.1 t-105 -113.27 111.2 21.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.8 m -77.91 94.21 4.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.161 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -48.19 157.87 0.63 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.683 0.754 . . . . 0.0 110.835 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -2.82 10.83 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.711 2.274 . . . . 0.0 112.314 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -94.2 -39.02 10.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.873 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 129.81 45.32 0.17 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.522 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.7 p -146.55 152.45 38.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 111.15 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 72.4 p -102.8 150.78 23.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.3 m -151.47 166.03 32.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -83.24 151.32 25.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 62.9 mt -106.23 138.97 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.157 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.543 ' CD1' ' HB2' ' A' ' 138' ' ' ALA . 7.1 p90 -156.28 164.62 38.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -179.25 -161.21 26.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.48 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 1.5 p90 -154.97 164.05 39.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 110.864 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 1.7 t -114.65 127.18 72.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.123 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -143.06 152.13 41.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 19.2 mttm -64.96 125.36 24.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.472 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 10.7 ttmm -40.99 139.98 1.15 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.579 0.704 . . . . 0.0 110.907 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 54.0 Cg_endo -69.78 -15.83 37.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.7 2.267 . . . . 0.0 112.358 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -107.01 -13.94 20.26 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.495 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.408 ' HA ' ' HD2' ' A' ' 121' ' ' PRO . 6.6 m -149.11 105.05 3.36 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.698 0.761 . . . . 0.0 110.806 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 120' ' ' SER . 53.4 Cg_endo -69.83 -21.4 33.24 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.294 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . 0.503 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 33.0 p90 -84.31 18.75 2.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.934 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.503 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 36.2 mt-10 -141.24 169.81 16.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -137.73 143.55 41.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 2.4 p -150.62 112.21 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.126 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 48.9 t -82.61 138.69 34.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -106.1 109.12 20.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.3 tp -70.39 148.11 48.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.955 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' A' ' 111' ' ' PHE . 15.6 m-85 -147.24 173.08 12.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -145.58 156.1 43.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -64.93 129.11 38.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.3 tt -107.71 -45.09 4.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.68 141.54 26.88 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.616 0.722 . . . . 0.0 110.854 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -50.88 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.725 2.283 . . . . 0.0 112.379 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -42.59 -32.35 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -130.85 90.49 39.73 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.587 0.708 . . . . 0.0 110.858 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 177.54 5.47 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.696 2.264 . . . . 0.0 112.314 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.543 ' HB2' ' CD1' ' A' ' 111' ' ' PHE . . . -70.83 -48.84 51.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -51.83 -32.31 33.2 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -68.19 -26.99 66.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.723 0.296 . . . . 0.0 111.086 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 142' ' ' VAL . 58.1 mt -82.74 -73.62 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.169 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 141' ' ' ILE . 9.9 m -37.6 -40.14 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 5.8 m -56.25 -70.39 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' PHE . . . . . 0.536 ' CE1' ' CG2' ' A' ' 148' ' ' VAL . 11.7 t80 -42.96 -36.01 1.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 54.5 mt -63.6 -67.26 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 6.1 p -51.65 -30.5 21.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -71.01 -48.52 52.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.536 ' CG2' ' CE1' ' A' ' 144' ' ' PHE . 67.4 t -88.46 -69.37 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -44.23 -64.37 0.69 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 12.1 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.884 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.0 mt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.823 0.344 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -42.71 -40.33 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -52.27 -63.73 1.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.9 119.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.23 120.53 30.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.88 118.79 8.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.454 ' HB2' ' NE2' ' A' ' 136' ' ' GLN . 2.1 t -157.8 178.22 10.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 74.8 m -86.54 137.41 32.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.7 m -123.49 -177.05 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.177 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.431 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 3.0 tm? -113.89 114.84 26.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.539 ' HA ' ' CD2' ' A' ' 129' ' ' PHE . 15.2 t80 -85.66 115.52 23.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.522 HD21 ' CE2' ' A' ' 100' ' ' TRP . 75.2 mt -82.17 -70.54 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.6 t -172.22 137.26 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.1 m -95.89 113.88 25.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.9 t -100.66 138.02 26.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.153 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -69.73 116.05 9.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 32' ' ' GLU . 66.5 p -111.98 36.98 3.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.142 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 31' ' ' THR . 5.1 pt-20 -35.46 -49.43 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -92.03 -41.04 10.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -65.54 136.95 57.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -156.58 161.99 39.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.92 -154.6 43.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.494 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 53.3 Cg_endo -69.78 -1.86 9.21 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.301 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -88.94 -45.9 9.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -49.92 -46.02 51.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.0 t -53.0 -39.71 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.88 -57.99 8.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.2 ttt85 -39.85 -58.8 1.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.42 -45.01 65.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.075 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 m -66.78 -67.64 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.458 ' O ' ' CB ' ' A' ' 49' ' ' SER . 2.0 m -41.89 -36.15 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.61 -39.68 51.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.53 -34.7 59.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.087 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 mt -99.24 -36.69 9.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 45' ' ' SER . 30.8 t -63.87 -53.17 54.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -70.8 147.74 48.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.537 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 38.8 p -153.68 153.3 28.72 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.67 0.747 . . . . 0.0 110.859 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.1 Cg_endo -69.76 133.6 26.27 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.326 -0.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.2 ptp85 -41.78 148.88 0.43 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.621 0.724 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 171.71 14.02 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.708 2.272 . . . . 0.0 112.309 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 98.2 m -103.82 116.0 62.47 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.556 0.693 . . . . 0.0 111.162 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 -179.77 3.18 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.654 2.236 . . . . 0.0 112.322 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -157.55 152.17 25.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.427 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 90.4 t -91.39 114.67 29.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.7 m -127.03 174.16 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -93.08 141.12 28.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -122.74 138.81 54.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -150.1 150.42 31.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 71.7 t -136.21 118.16 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 67' ' ' GLY . 5.6 t -138.95 159.4 42.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -42.67 -25.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -84.63 23.32 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 64' ' ' SER . . . 92.04 -135.44 12.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.488 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.514 HD12 ' CE2' ' A' ' 113' ' ' PHE . 87.3 mt -119.63 146.25 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 111.152 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.8 m -130.39 120.07 23.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.197 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 35.4 mt -112.28 128.92 56.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.448 HG23 ' N ' ' A' ' 72' ' ' ASP . 23.0 m -117.03 154.28 31.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 79' ' ' PHE . 10.0 t0 -138.12 148.98 45.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -111.34 -43.15 3.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.427 ' NE2' ' O ' ' A' ' 58' ' ' VAL . 0.8 OUTLIER -72.52 -10.75 60.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 74' ' ' GLN . 71.5 mtt180 36.32 47.28 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 47.3 mmtt -80.91 -41.37 23.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 mt -118.36 -38.57 3.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.439 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 26.8 p90 -158.8 139.25 12.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 72' ' ' ASP . 10.7 t80 -75.49 -73.17 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -142.34 126.86 17.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.853 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.4 mmt85 -121.76 125.96 47.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -116.35 128.4 55.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -118.82 141.4 29.99 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.668 0.747 . . . . 0.0 110.924 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 157.35 60.66 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.701 2.268 . . . . 0.0 112.318 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.5 p -61.34 -25.85 37.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.168 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -73.66 -45.06 54.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.5 m -45.52 -55.36 6.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.806 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 15.8 mt -63.06 112.04 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 76.5 p -100.85 -41.44 6.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 37' ' ' PRO . 39.9 t80 -133.02 157.38 45.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.1 t -153.23 112.44 3.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.9 t -152.81 143.89 23.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.471 ' CG2' ' HB2' ' A' ' 111' ' ' PHE . 35.2 p -57.32 -79.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -150.15 120.46 3.86 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.587 0.708 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -22.69 31.78 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.716 2.277 . . . . 0.0 112.358 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -91.11 -31.42 16.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 30.2 t0 73.92 54.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.3 mmp_? -109.14 168.41 9.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -103.65 150.79 23.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.522 ' CE2' HD21 ' A' ' 26' ' ' LEU . 35.2 t-105 -102.83 109.58 21.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.2 m -78.49 91.5 4.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.178 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -49.86 157.24 1.09 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.611 0.72 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -7.42 21.0 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.679 2.253 . . . . 0.0 112.361 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -84.72 -34.56 22.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 123.98 39.04 0.51 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.536 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.0 t -143.7 161.45 38.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.841 0.353 . . . . 0.0 111.169 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.7 p -105.41 145.88 30.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 86.3 p -139.42 172.16 13.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -86.05 130.46 34.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 27.8 mt -85.98 137.36 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.571 ' CE2' HD13 ' A' ' 141' ' ' ILE . 1.2 p90 -164.07 149.52 10.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -170.52 -170.67 35.08 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.514 ' CE2' HD12 ' A' ' 68' ' ' ILE . 4.0 p90 -147.55 172.48 13.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.902 0.382 . . . . 0.0 110.859 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 12.8 t -119.54 132.0 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.154 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -144.48 143.69 30.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -74.28 151.05 39.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.47 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 35.2 tttt -66.29 139.69 96.46 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.618 0.723 . . . . 0.0 110.864 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 54.1 Cg_endo -69.78 -8.42 23.56 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.716 2.278 . . . . 0.0 112.349 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -121.55 -29.01 1.5 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.432 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.3 m -118.65 84.15 23.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.606 0.717 . . . . 0.0 110.831 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -6.52 18.81 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.663 2.242 . . . . 0.0 112.33 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 3.3 p90 -88.85 0.84 56.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.44 160.71 39.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -118.22 145.05 45.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.441 HG11 ' CE1' ' A' ' 127' ' ' HIS . 98.6 t -130.42 114.86 29.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 41.7 t -94.02 137.0 33.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . 0.441 ' CE1' HG11 ' A' ' 125' ' ' VAL . 44.4 m-70 -112.0 135.89 52.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.43 ' O ' ' CD1' ' A' ' 129' ' ' PHE . 4.5 tp -100.45 146.93 26.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.539 ' CD2' ' HA ' ' A' ' 25' ' ' TYR . 35.9 m-85 -148.09 173.23 13.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.424 ' CB ' HD22 ' A' ' 26' ' ' LEU . . . -138.48 159.17 42.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.106 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -62.22 128.91 38.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.416 ' CD2' ' CG ' ' A' ' 133' ' ' ASP . 6.6 tt -110.65 -52.4 2.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.416 ' CG ' ' CD2' ' A' ' 132' ' ' LEU . 56.6 m-20 -116.1 141.88 28.4 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.59 0.709 . . . . 0.0 110.851 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -41.94 3.77 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -41.07 -35.12 0.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . 0.454 ' NE2' ' HB2' ' A' ' 21' ' ' CYS . 31.1 mt-30 -129.66 101.25 18.78 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.601 0.715 . . . . 0.0 110.958 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 137.5 35.59 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.715 2.276 . . . . 0.0 112.324 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -39.99 -43.42 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -59.46 -53.09 49.06 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.528 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -48.66 -24.37 1.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.762 0.315 . . . . 0.0 111.072 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.571 HD13 ' CE2' ' A' ' 111' ' ' PHE . 33.7 mt -76.83 -73.55 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.461 HG21 ' CG2' ' A' ' 93' ' ' THR . 5.7 m -41.7 -53.02 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 97.4 m -47.53 -67.58 0.26 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.179 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -40.96 -47.05 2.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.431 ' CG2' ' HG ' ' A' ' 149' ' ' LEU . 68.2 mt -53.47 -59.82 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.154 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 74.2 p -53.45 -33.78 55.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -67.25 -39.38 86.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 32.2 t -94.47 -67.47 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.431 ' HG ' ' CG2' ' A' ' 145' ' ' ILE . 2.5 mm? -40.97 -70.64 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 18.8 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.909 179.854 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.3 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.81 0.338 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.488 ' CG ' ' N ' ' A' ' 17' ' ' GLN . 20.5 ptt85 -49.74 -47.78 50.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.488 ' N ' ' CG ' ' A' ' 16' ' ' ARG . 48.2 mm-40 -42.58 -50.01 5.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.87 117.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.85 121.86 37.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.354 . . . . 0.0 111.064 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.67 137.59 25.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.3 p -163.33 172.42 14.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -85.06 131.92 34.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.541 HG22 ' CD1' ' A' ' 129' ' ' PHE . 19.6 m -117.84 166.42 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.175 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.444 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 2.3 tm? -95.44 111.95 23.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -77.28 99.24 5.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.477 HD21 ' CG ' ' A' ' 100' ' ' TRP . 66.6 mt -74.36 -71.33 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.5 t -174.66 174.19 2.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.5 t -139.88 122.19 15.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.9 t -105.62 135.54 43.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.177 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -66.96 121.02 14.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 32' ' ' GLU . 29.4 p -114.22 39.4 2.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 31' ' ' THR . 8.5 pt-20 -35.11 -46.24 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.0 t -96.08 -36.25 11.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 31' ' ' THR . 2.1 mm? -71.23 145.3 49.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.1 t -165.05 163.43 20.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.56 -154.02 45.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.467 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.461 ' HA ' ' CZ ' ' A' ' 90' ' ' PHE . 54.1 Cg_endo -69.71 3.32 2.81 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.242 . . . . 0.0 112.365 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -98.02 -42.97 7.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.86 -41.25 74.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.2 t -63.62 -49.33 82.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.73 -26.73 35.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -73.63 -58.6 3.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.3 -44.35 23.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.3 m -58.45 -55.01 40.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.8 t -57.18 -54.08 50.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -44.44 -27.61 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.48 -55.6 14.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.058 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.2 mp -70.67 -38.81 73.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.1 t -65.69 -49.8 67.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 50.7 t -64.29 138.07 58.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.543 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 33.0 p -150.29 144.68 17.73 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.619 0.724 . . . . 0.0 110.854 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.7 Cg_endo -69.81 130.15 16.14 Favored 'Cis proline' 0 C--N 1.341 0.143 0 C-N-CA 122.631 -1.82 . . . . 0.0 112.362 -0.021 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.452 ' N ' ' HA ' ' A' ' 51' ' ' SER . 9.3 ptp180 -34.55 145.26 0.18 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.628 0.727 . . . . 0.0 110.856 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 152.06 68.95 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.1 m -88.69 114.17 58.77 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.549 0.69 . . . . 0.0 111.131 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.419 ' CB ' HD12 ' A' ' 24' ' ' LEU . 54.0 Cg_endo -69.74 155.39 66.14 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.702 2.268 . . . . 0.0 112.357 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -136.96 152.83 50.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.1 m -84.17 138.36 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.0 m -144.41 -176.73 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 18.0 t-80 -105.41 149.09 26.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -132.89 136.61 46.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.3 tttt -148.34 133.83 18.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 40.7 t -122.95 118.22 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.4 t -139.25 175.27 9.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.83 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.88 -23.37 18.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.116 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -86.84 24.81 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.0 -125.32 7.94 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 71.4 mt -130.27 145.12 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.977 0.417 . . . . 0.0 111.078 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 m -131.15 115.46 16.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.6 mt -113.82 132.53 55.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 42.1 m -116.66 147.66 41.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.172 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.544 ' OD2' ' CZ ' ' A' ' 78' ' ' PHE . 3.2 m-20 -139.34 136.62 35.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -101.8 -35.44 9.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.696 ' NE2' ' H ' ' A' ' 76' ' ' LYS . 1.1 pp0? -50.27 -19.96 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 74' ' ' GLN . 67.5 mtm180 37.51 27.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.696 ' H ' ' NE2' ' A' ' 74' ' ' GLN . 27.5 mttt -92.51 -60.93 1.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -79.64 -49.97 11.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.544 ' CZ ' ' OD2' ' A' ' 72' ' ' ASP . 33.3 p90 -155.77 153.15 29.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -80.98 -70.1 0.56 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -150.93 150.02 30.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.487 ' HB3' ' CE1' ' A' ' 83' ' ' TYR . 3.5 mmm180 -136.37 124.83 23.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -107.12 118.89 37.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.487 ' CE1' ' HB3' ' A' ' 81' ' ' ARG . 4.4 m-85 -110.97 113.69 54.68 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.64 0.733 . . . . 0.0 110.926 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 148.24 64.76 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.731 2.288 . . . . 0.0 112.366 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.402 HG23 ' CD1' ' A' ' 149' ' ' LEU . 9.8 p -51.71 -31.56 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 87' ' ' SER . 6.7 m-20 -67.26 -67.87 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 86' ' ' ASN . 99.0 p -34.89 -56.75 0.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.801 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 13.5 mt -57.91 106.29 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.8 t -114.85 -7.72 12.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.156 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.461 ' CZ ' ' HA ' ' A' ' 37' ' ' PRO . 22.4 t80 -153.23 137.1 16.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.5 ' O ' ' CG2' ' A' ' 146' ' ' THR . 47.1 t -163.0 120.23 1.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.9 m -172.37 151.73 2.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 35.7 p -53.45 160.42 1.21 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.171 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.496 ' OD2' ' N ' ' A' ' 98' ' ' ARG . 36.8 p-10 -47.89 117.5 5.48 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.624 0.726 . . . . 0.0 110.852 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -8.44 23.6 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.727 2.284 . . . . 0.0 112.335 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -102.88 21.16 16.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.7 t70 37.29 47.89 0.74 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.496 ' N ' ' OD2' ' A' ' 94' ' ' ASP . 14.4 tpp180 -83.93 160.14 21.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 26.7 mmt85 -131.28 148.49 52.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.477 ' CG ' HD21 ' A' ' 26' ' ' LEU . 74.4 t-105 -111.23 103.65 12.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.4 m -66.28 111.37 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.126 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -68.38 158.99 83.13 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.635 0.731 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 0.72 5.24 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.68 2.253 . . . . 0.0 112.333 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -94.55 -39.26 10.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 128.68 42.44 0.24 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.2 p -145.59 170.7 15.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 111.205 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 77.1 p -114.12 144.08 43.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.107 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.5 m -129.13 169.67 14.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -92.81 128.79 38.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 53.6 mt -93.25 136.04 26.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.081 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.533 ' CD1' ' HB1' ' A' ' 138' ' ' ALA . 10.9 p90 -145.55 160.8 41.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -178.25 149.97 9.47 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -112.33 158.54 19.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.916 0.389 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.9 t -104.54 107.49 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -120.58 153.03 37.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.075 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -78.72 150.63 32.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -73.77 137.65 76.83 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.593 0.711 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 0.6 5.4 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -122.27 -24.99 2.1 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.445 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 36.5 m -131.51 95.16 24.34 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.654 0.74 . . . . 0.0 110.906 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -19.47 36.27 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.665 2.243 . . . . 0.0 112.382 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . 0.404 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 43.9 p90 -90.01 22.24 3.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.404 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 72.1 mt-10 -144.86 163.38 34.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -140.46 141.35 35.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.6 p -147.03 123.63 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 36.3 t -86.09 156.27 20.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -118.61 118.62 32.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 9.8 tp -80.1 145.57 32.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.541 ' CD1' HG22 ' A' ' 23' ' ' VAL . 43.4 m-85 -148.98 167.18 26.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -143.29 135.25 26.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.418 ' HB3' ' N ' ' A' ' 138' ' ' ALA . 0.1 OUTLIER -52.09 109.01 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.9 tt -75.25 -49.51 19.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -92.71 145.28 30.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.628 0.728 . . . . 0.0 110.886 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -45.37 1.58 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.704 2.269 . . . . 0.0 112.295 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.72 -35.51 79.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -107.12 84.38 1.64 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.625 0.726 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 170.13 17.27 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.65 2.233 . . . . 0.0 112.374 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.533 ' HB1' ' CD1' ' A' ' 111' ' ' PHE . . . -60.15 -43.1 96.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -54.03 -54.4 31.62 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -49.16 -29.17 5.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 47.9 mt -74.61 -72.38 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.429 HG23 ' N ' ' A' ' 143' ' ' THR . 20.6 m -45.74 -45.88 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.429 ' N ' HG23 ' A' ' 142' ' ' VAL . 66.7 m -48.46 -60.89 2.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -51.27 -41.97 60.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 80.5 mt -58.97 -74.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.158 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 91' ' ' SER . 30.6 p -47.89 -35.44 10.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -52.08 -50.28 61.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.457 HG13 ' CD2' ' A' ' 149' ' ' LEU . 8.8 p -96.95 -53.65 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.083 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.457 ' CD2' HG13 ' A' ' 148' ' ' VAL . 4.0 mm? -51.9 -62.71 1.46 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.869 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.1 mp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.857 0.361 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -48.6 -30.89 5.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -85.66 -55.63 3.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.38 144.97 2.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.468 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.38 124.97 33.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.777 0.322 . . . . 0.0 111.129 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.59 141.61 27.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.418 ' HB3' ' NE2' ' A' ' 136' ' ' GLN . 24.8 p -166.1 166.72 16.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.9 m -81.05 138.54 35.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.9 m -128.12 176.8 6.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -107.04 116.11 31.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -82.3 108.72 15.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.543 HD22 ' CD1' ' A' ' 100' ' ' TRP . 66.8 mt -76.78 -71.47 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.7 t -173.52 162.68 4.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.9 p -125.7 136.63 53.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.5 t -121.87 146.81 26.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -71.47 116.49 11.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.5 p -117.29 37.36 3.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -40.11 -50.31 2.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.3 t -85.01 -49.32 8.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -58.75 137.5 57.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.937 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 79.4 p -147.42 173.44 12.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.54 -157.84 36.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.4 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 53.7 Cg_endo -69.79 2.5 3.49 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.616 2.211 . . . . 0.0 112.367 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -84.11 -42.51 15.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.27 -42.79 92.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.0 t -54.52 -42.62 60.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.091 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.66 -36.3 83.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -57.94 -61.16 2.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -39.39 -63.05 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.3 m -47.49 -46.16 26.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.4 t -59.59 -34.18 72.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.71 -11.37 45.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.089 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.4 -30.81 23.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.072 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.9 mt -94.97 -27.48 15.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.0 t -79.42 -48.34 14.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 42.0 t -58.31 138.21 56.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.528 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 15.6 p -139.97 152.11 66.94 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.697 0.76 . . . . 0.0 110.842 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.5 Cg_endo -69.75 169.98 60.63 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.337 -0.067 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -46.29 145.11 2.85 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.578 0.704 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 159.43 53.48 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.689 2.259 . . . . 0.0 112.36 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 50.2 m -105.7 93.31 7.15 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.569 0.699 . . . . 0.0 111.104 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 159.46 53.28 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.692 2.261 . . . . 0.0 112.325 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -141.46 156.54 45.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.2 t -85.34 123.87 39.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.9 m -134.22 177.37 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.15 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -97.69 160.11 14.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -148.74 117.32 6.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 41.5 tttm -125.28 144.23 50.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.7 t -121.85 116.86 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 t -138.45 157.69 45.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.815 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -50.29 -21.07 1.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.095 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -89.18 19.57 4.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.923 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.07 -150.73 19.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.478 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 87.4 mt -109.0 143.07 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.949 0.404 . . . . 0.0 111.092 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.5 m -131.51 111.5 11.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.126 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.8 mt -99.99 152.5 20.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 22.6 m -140.53 122.35 15.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.162 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -105.4 146.92 28.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -116.88 -41.03 3.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -71.43 -16.45 62.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 33.0 mtt180 47.08 45.36 15.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -76.69 -35.23 58.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 mt -128.42 -50.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -140.66 140.27 34.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.43 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 1.8 t80 -75.65 -57.09 4.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -140.08 163.44 32.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -159.71 123.2 3.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -102.88 124.21 47.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.461 ' OH ' ' CE1' ' A' ' 127' ' ' HIS . 45.9 m-85 -121.23 95.7 48.47 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.701 0.763 . . . . 0.0 110.917 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 85' ' ' VAL . 53.4 Cg_endo -69.82 136.19 32.22 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.655 2.237 . . . . 0.0 112.311 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.454 ' C ' ' O ' ' A' ' 84' ' ' PRO . 9.7 p -33.89 -44.58 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.444 ' N ' HG13 ' A' ' 85' ' ' VAL . 76.4 m-20 -52.94 -55.89 20.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.5 m -50.01 -42.99 50.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.8 mt -80.57 124.9 38.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 62.2 p -116.85 -33.44 4.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.123 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.4 ' CZ ' ' HB3' ' A' ' 37' ' ' PRO . 52.8 t80 -137.1 150.86 48.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.2 t -170.12 113.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.3 m -165.95 147.32 6.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.6 p -45.82 143.39 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.423 ' CG ' ' HD2' ' A' ' 95' ' ' PRO . 2.0 t70 -46.95 140.94 5.98 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.569 0.699 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' ' 94' ' ' ASP . 53.4 Cg_endo -69.77 -31.38 20.59 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.725 2.284 . . . . 0.0 112.324 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -76.17 -5.78 48.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 39.7 41.93 0.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -77.87 -178.38 5.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 78.5 mmt-85 -123.6 166.58 15.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.543 ' CD1' HD22 ' A' ' 26' ' ' LEU . 49.9 t-105 -126.5 110.43 13.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.0 m -75.55 91.23 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -49.18 154.38 1.42 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.608 0.718 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 0.63 5.39 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.641 2.228 . . . . 0.0 112.318 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -95.57 -36.05 11.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 125.73 54.91 0.16 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 11.6 t -162.9 156.81 20.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.843 0.354 . . . . 0.0 111.138 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 27.4 p -99.76 155.5 17.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 46.5 m -152.77 152.22 31.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -69.46 147.98 50.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 82.6 mt -108.07 131.9 57.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.134 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.495 ' CD1' ' HB3' ' A' ' 138' ' ' ALA . 6.8 p90 -151.08 158.97 44.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -169.4 -176.1 39.07 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.511 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.534 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 0.6 OUTLIER -143.47 168.7 19.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.913 0.387 . . . . 0.0 110.841 -179.868 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.4 t -121.53 123.52 69.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.106 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -134.82 161.14 36.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.086 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -80.4 140.25 36.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.47 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 7.7 ttmm -47.34 140.53 7.17 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.58 0.705 . . . . 0.0 110.905 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 53.6 Cg_endo -69.79 1.47 4.42 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.688 2.259 . . . . 0.0 112.351 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -137.41 3.63 3.3 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.407 ' HA ' ' HD2' ' A' ' 121' ' ' PRO . 43.0 m -158.25 105.0 1.69 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.628 0.728 . . . . 0.0 110.911 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.42 ' HD2' ' CZ3' ' A' ' 122' ' ' TRP . 53.7 Cg_endo -69.76 -7.41 20.99 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.688 2.259 . . . . 0.0 112.363 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . 0.43 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 19.7 p90 -96.14 2.75 53.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.43 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 42.8 mt-10 -121.69 163.09 19.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -139.8 136.93 34.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 2.0 t -135.3 109.26 10.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 52.0 t -82.27 135.81 35.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . 0.461 ' CE1' ' OH ' ' A' ' 83' ' ' TYR . 7.0 m-70 -112.26 112.46 24.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.2 tp -75.1 157.56 34.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' A' ' 111' ' ' PHE . 19.6 m-85 -152.67 172.35 16.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -144.46 157.54 44.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.142 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.444 ' HG2' ' N ' ' A' ' 138' ' ' ALA . 87.8 mt-10 -70.79 120.45 16.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 10.4 tt -97.39 -45.7 6.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.913 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.82 144.17 29.76 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.574 0.702 . . . . 0.0 110.86 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -49.85 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.641 2.227 . . . . 0.0 112.383 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -52.0 -42.55 63.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . 0.418 ' NE2' ' HB3' ' A' ' 21' ' ' CYS . 31.5 mt-30 -114.38 80.48 5.98 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.572 0.701 . . . . 0.0 110.91 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -172.13 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.751 2.301 . . . . 0.0 112.33 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.495 ' HB3' ' CD1' ' A' ' 111' ' ' PHE . . . -74.53 -45.96 42.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -46.35 -47.82 16.33 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.57 -28.01 65.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 0.0 111.131 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.483 HD11 ' CZ ' ' A' ' 111' ' ' PHE . 74.9 mt -77.4 -73.14 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 6.4 m -45.74 -48.47 4.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 75.2 m -47.9 -63.51 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -48.76 -42.27 34.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.54 -59.92 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 45.2 p -58.41 -15.32 10.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.16 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 8.5 mtpt -85.81 -42.98 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 28.8 t -92.91 -68.12 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.146 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -39.99 -70.37 0.11 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 4.7 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.867 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.1 mt . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.857 0.36 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.7 mtt85 -55.88 -19.89 13.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -84.54 -63.16 1.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.05 133.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.66 123.66 33.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 0.0 111.051 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.57 120.28 11.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.458 ' HB2' ' NE2' ' A' ' 136' ' ' GLN . 2.0 t -154.74 178.8 9.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.8 p -93.92 129.41 40.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.542 HG22 ' CD2' ' A' ' 129' ' ' PHE . 32.1 m -115.54 173.5 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.162 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.444 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 2.3 tm? -104.51 110.85 23.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -80.35 100.72 8.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.51 HD23 ' CD2' ' A' ' 100' ' ' TRP . 96.3 mt -69.03 -72.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 28' ' ' SER . 5.9 t -162.52 -176.0 4.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.436 ' N ' ' OG1' ' A' ' 27' ' ' THR . 61.9 p -140.22 119.87 13.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.406 HG11 ' N ' ' A' ' 30' ' ' GLU . 22.2 t -113.96 139.51 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.145 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.406 ' N ' HG11 ' A' ' 29' ' ' VAL . 8.9 mt-10 -75.66 119.95 20.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 42.1 p -114.03 42.07 2.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.129 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -42.3 -45.92 4.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -94.0 -43.1 8.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -62.36 136.16 57.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.945 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.4 p -142.81 177.39 8.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 55.4 -150.36 20.99 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.528 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.534 ' HD3' ' CE2' ' A' ' 90' ' ' PHE . 53.9 Cg_endo -69.76 -20.96 34.16 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.668 2.245 . . . . 0.0 112.363 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -63.3 -36.33 83.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.6 -39.08 88.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.3 t -60.74 -48.39 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.087 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.27 -33.36 74.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.131 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.5 ttt85 -57.75 -62.69 1.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.84 -35.06 30.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.07 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.1 m -65.18 -36.2 83.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.4 t -71.47 -63.49 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -38.11 -35.46 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.117 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -45.8 -50.78 13.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.481 ' N ' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -99.72 -33.26 10.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.1 t -63.8 -50.3 69.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.414 ' O ' ' O ' ' A' ' 51' ' ' SER . 1.4 m -84.09 24.69 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.493 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 0.4 OUTLIER -38.98 160.59 0.09 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.675 0.75 . . . . 0.0 110.856 -179.725 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 51' ' ' SER . 54.1 Cg_endo -69.75 153.36 92.92 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.354 -0.045 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.417 ' C ' ' HD2' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -55.96 142.28 65.28 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.646 0.736 . . . . 0.0 110.851 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 166.05 28.82 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 94.5 m -93.73 110.46 47.52 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.596 0.712 . . . . 0.0 111.14 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 172.69 12.17 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.656 2.238 . . . . 0.0 112.36 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.76 154.32 29.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.07 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.5 t -89.93 119.78 37.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.3 m -131.24 159.61 42.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -74.03 151.35 40.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -133.88 142.02 47.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -147.81 141.5 25.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 99.1 t -130.83 107.59 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.9 t -131.66 167.46 19.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.18 -22.04 15.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.07 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -90.21 19.45 5.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.93 -154.75 19.6 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.475 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.455 ' CD1' HD13 ' A' ' 88' ' ' ILE . 70.6 mt -113.23 135.19 53.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.937 0.399 . . . . 0.0 111.075 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.402 ' N ' HG21 ' A' ' 68' ' ' ILE . 62.3 m -114.34 137.84 51.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.109 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.2 mt -130.08 128.11 41.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.418 ' HA ' ' CB ' ' A' ' 80' ' ' ARG . 99.3 m -114.83 108.79 17.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.509 ' OD1' ' CZ ' ' A' ' 78' ' ' PHE . 0.6 OUTLIER -87.3 140.76 29.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -113.48 -50.41 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -56.07 -23.81 36.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.4 mtp180 43.12 34.21 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -93.02 -39.3 11.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.4 mt -102.39 -36.03 8.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.509 ' CZ ' ' OD1' ' A' ' 72' ' ' ASP . 1.3 p90 -174.92 172.07 2.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -108.35 167.56 9.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.418 ' CB ' ' HA ' ' A' ' 71' ' ' THR . 6.7 ptm180 -38.74 138.3 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 18.1 mmm-85 -133.25 128.66 36.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -101.08 115.78 31.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -107.15 121.05 45.89 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.699 0.761 . . . . 0.0 110.911 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 135.26 29.94 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.3 p -41.78 -39.81 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -52.3 -48.25 65.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 39.6 t -52.63 -57.84 8.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.455 HD13 ' CD1' ' A' ' 68' ' ' ILE . 16.8 mt -66.52 105.92 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.115 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 74.0 p -111.39 -41.67 4.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.534 ' CE2' ' HD3' ' A' ' 37' ' ' PRO . 18.6 t80 -121.73 132.74 54.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.496 ' O ' ' CG2' ' A' ' 146' ' ' THR . 3.7 t -150.76 136.59 18.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.1 t -175.15 144.42 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.37 168.18 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -60.75 123.3 73.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.592 0.711 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -31.82 19.86 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.713 2.276 . . . . 0.0 112.316 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -69.83 -1.77 10.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 42.68 35.19 0.65 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -86.33 171.3 11.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 8.2 mmt85 -117.63 155.13 30.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.51 ' CD2' HD23 ' A' ' 26' ' ' LEU . 53.1 t-105 -112.62 112.35 23.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 31.8 m -77.16 90.89 3.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -44.71 159.55 0.25 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -5.5 16.37 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.681 2.254 . . . . 0.0 112.321 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -91.72 -34.99 14.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 124.73 55.66 0.18 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.457 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.0 t -163.16 149.01 11.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.346 . . . . 0.0 111.172 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.1 p -88.66 154.4 20.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 90.4 p -149.04 151.99 35.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -69.25 131.54 45.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 13.6 mt -94.73 129.09 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.562 ' CD1' ' HB3' ' A' ' 138' ' ' ALA . 9.3 p90 -150.66 166.54 30.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 177.02 -175.79 47.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.51 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -140.72 173.07 11.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.372 . . . . 0.0 110.875 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.3 t -118.39 117.04 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -127.14 144.93 50.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -85.66 143.71 28.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 19.4 mttp -56.74 146.25 58.17 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.602 0.715 . . . . 0.0 110.912 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -29.6 23.68 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.713 2.275 . . . . 0.0 112.342 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -104.63 -11.88 29.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.488 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.429 ' HB3' ' NE1' ' A' ' 122' ' ' TRP . 37.8 m -130.14 78.91 73.86 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.702 0.763 . . . . 0.0 110.879 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -3.09 11.32 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.681 2.254 . . . . 0.0 112.369 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . 0.429 ' NE1' ' HB3' ' A' ' 120' ' ' SER . 5.4 p90 -87.52 -26.97 22.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -115.56 149.68 37.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -110.64 151.95 27.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 5.2 t -133.95 121.99 40.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 43.2 t -98.95 138.05 36.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -110.9 128.67 55.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 9.1 tp -89.52 135.47 33.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.542 ' CD2' HG22 ' A' ' 23' ' ' VAL . 35.5 m-85 -138.5 171.4 14.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -147.75 155.87 42.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -62.91 126.46 27.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 9.7 tt -108.3 -47.8 3.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.432 ' CG ' ' HD2' ' A' ' 134' ' ' PRO . 9.7 t70 -114.98 139.91 24.88 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.6 0.714 . . . . 0.0 110.902 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . 0.432 ' HD2' ' CG ' ' A' ' 133' ' ' ASP . 53.1 Cg_endo -69.79 -32.81 17.73 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.325 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -50.96 -36.82 40.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . 0.458 ' NE2' ' HB2' ' A' ' 21' ' ' CYS . 26.0 mt-30 -127.91 96.27 32.42 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.602 0.715 . . . . 0.0 110.911 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 149.74 66.9 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.562 ' HB3' ' CD1' ' A' ' 111' ' ' PHE . . . -53.22 -32.82 50.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -62.25 -42.76 99.71 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.478 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.82 -31.0 71.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.742 0.306 . . . . 0.0 111.069 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 80.0 mt -71.61 -72.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 4.5 m -40.59 -53.51 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 144' ' ' PHE . 92.5 m -50.67 -70.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 143' ' ' THR . 14.0 t80 -37.67 -42.21 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.414 ' CG2' ' HB2' ' A' ' 149' ' ' LEU . 72.9 mt -65.98 -65.6 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 91' ' ' SER . 4.5 p -52.11 -14.25 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -83.02 -61.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.473 ' CG1' ' N ' ' A' ' 149' ' ' LEU . 13.6 p -97.21 -53.02 8.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.473 ' N ' ' CG1' ' A' ' 148' ' ' VAL . 1.8 mm? -52.44 -21.87 4.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 9.1 tp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.86 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.5 mt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.769 0.318 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -42.38 -44.86 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -62.09 -50.73 70.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.01 114.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.57 119.63 39.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.781 0.324 . . . . 0.0 111.057 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.438 ' CB ' ' HG2' ' A' ' 62' ' ' LYS . . . -141.18 128.56 21.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.401 ' SG ' ' OD2' ' A' ' 133' ' ' ASP . 1.8 t -162.43 169.09 21.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.1 m -90.91 122.32 33.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.824 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.48 HG23 ' CD1' ' A' ' 129' ' ' PHE . 24.4 m -108.2 -174.8 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.13 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.485 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 2.3 tm? -107.5 113.28 26.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -80.15 103.66 10.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.499 HD21 ' CD2' ' A' ' 100' ' ' TRP . 71.4 mt -73.09 -69.13 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.9 t -172.79 171.09 4.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.5 t -127.42 135.08 49.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 43' ' ' ALA . 55.9 t -119.66 143.28 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.152 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -77.79 116.51 18.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.5 p -116.86 44.3 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.135 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -43.1 -42.53 4.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 t -99.79 -34.3 10.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -71.48 135.42 47.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.4 p -156.59 141.38 17.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.27 -151.67 18.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -16.7 37.66 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.691 2.261 . . . . 0.0 112.391 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -78.49 -45.0 23.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.92 -42.01 71.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.8 t -61.17 -44.7 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.33 -53.41 57.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.081 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -42.12 -65.0 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.46 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . . . -39.9 -48.89 2.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.087 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.2 m -60.81 -57.31 13.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.836 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.7 t -43.79 -49.2 8.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.47 -29.39 68.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.134 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.61 -45.32 92.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.7 mp -85.1 -36.9 20.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.7 t -64.32 -53.24 51.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.6 p -55.4 147.9 16.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.516 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 20.7 p -150.79 153.79 34.02 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.669 0.747 . . . . 0.0 110.905 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 51' ' ' SER . 54.1 Cg_endo -69.76 166.71 73.34 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.391 -0.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -43.55 138.52 2.88 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.572 0.701 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 159.97 51.42 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.621 2.214 . . . . 0.0 112.312 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.4 m -104.21 94.18 6.48 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.521 0.677 . . . . 0.0 111.128 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.41 ' HB2' ' CD1' ' A' ' 24' ' ' LEU . 53.9 Cg_endo -69.76 156.36 63.53 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -137.39 156.03 48.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.0 m -86.89 138.68 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.3 m -143.8 172.77 6.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 62' ' ' LYS . 39.8 t-80 -86.27 132.77 33.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.471 ' CE1' ' CG2' ' A' ' 141' ' ' ILE . 11.0 t80 -118.81 123.57 45.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.562 ' HB2' ' CE1' ' A' ' 60' ' ' HIS . 0.5 OUTLIER -148.43 147.98 29.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.5 t -125.66 121.03 59.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.165 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.5 p -135.64 169.13 18.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.55 -18.87 21.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.099 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -83.67 -15.44 48.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 127.63 -143.57 14.46 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.433 HG12 ' CD1' ' A' ' 88' ' ' ILE . 16.7 mm -103.64 136.58 35.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 111.134 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.8 m -119.31 130.14 55.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 24.5 mt -128.83 145.37 51.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 78.2 m -138.34 154.77 48.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -135.8 150.65 49.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -115.4 -49.38 2.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -65.35 -7.57 14.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 39.23 43.41 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -77.69 -54.69 6.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.5 mt -101.29 -50.89 3.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -145.78 158.51 43.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -86.84 -55.81 3.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.1 ptt-85 -158.77 151.8 22.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.946 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.426 ' NE ' ' HA ' ' A' ' 81' ' ' ARG . 4.6 mmp_? -149.35 123.59 9.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -119.51 130.36 55.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -119.93 143.35 35.07 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.683 0.754 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 171.56 14.28 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.7 2.266 . . . . 0.0 112.332 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.441 HG21 ' CD1' ' A' ' 149' ' ' LEU . 11.0 p -73.61 -24.34 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 87' ' ' SER . 35.2 t-20 -72.25 -52.8 14.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 86' ' ' ASN . 91.1 p -37.13 -49.19 0.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.433 ' CD1' HG12 ' A' ' 68' ' ' ILE . 12.1 mt -68.41 109.62 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.158 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 38.6 p -105.98 -31.76 8.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.431 ' CG ' ' N ' ' A' ' 91' ' ' SER . 62.5 t80 -135.76 169.01 18.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.431 ' N ' ' CG ' ' A' ' 90' ' ' PHE . 1.2 m -175.24 129.81 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.8 t -175.94 144.63 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 10.6 p -57.37 167.19 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.099 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -58.94 128.27 84.5 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.613 0.72 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.403 ' HG2' ' NE2' ' A' ' 96' ' ' GLN . 53.8 Cg_endo -69.7 -47.09 1.02 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.727 2.285 . . . . 0.0 112.355 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.403 ' NE2' ' HG2' ' A' ' 95' ' ' PRO . 15.4 mp0 -54.9 -25.29 28.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.0 t70 62.37 32.25 16.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -82.41 159.7 22.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -104.2 139.62 38.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.499 ' CD2' HD21 ' A' ' 26' ' ' LEU . 68.7 t-105 -101.43 114.92 29.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.5 m -76.15 93.97 3.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.112 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -58.12 157.53 16.26 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.615 0.721 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -3.49 12.11 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.658 2.239 . . . . 0.0 112.395 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -94.75 8.83 41.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.59 51.28 9.74 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 34.9 p -155.15 152.41 29.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 111.127 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 53.7 p -100.67 154.66 18.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.144 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 72.7 m -155.26 166.81 32.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -84.68 150.71 24.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 61.5 mt -101.59 143.99 13.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.165 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.55 ' CZ ' HD13 ' A' ' 141' ' ' ILE . 3.1 p90 -159.21 152.69 22.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -163.05 170.4 38.52 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.513 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.535 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -129.36 167.63 17.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.905 0.383 . . . . 0.0 110.861 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.7 t -124.16 103.43 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.51 161.87 21.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -77.3 151.7 34.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.439 ' CG ' HG23 ' A' ' 125' ' ' VAL . 2.2 mtpm? -63.24 148.45 93.13 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.635 0.731 . . . . 0.0 110.891 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -22.61 31.99 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.702 2.268 . . . . 0.0 112.372 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -107.59 -32.63 3.33 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.8 m -117.66 108.6 42.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.621 0.724 . . . . 0.0 110.859 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -2.78 10.75 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.732 2.288 . . . . 0.0 112.329 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 35.2 p90 -113.42 1.27 15.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -112.74 108.05 16.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -90.45 141.06 29.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.439 HG23 ' CG ' ' A' ' 117' ' ' LYS . 94.3 t -137.07 118.53 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 14.2 p -84.63 123.17 30.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . 0.418 ' HB2' ' CE1' ' A' ' 113' ' ' PHE . 86.8 m-70 -96.74 110.0 22.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 11.4 tp -75.95 148.5 38.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.48 ' CD1' HG23 ' A' ' 23' ' ' VAL . 43.9 m-85 -153.96 169.58 23.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -145.01 122.81 11.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -42.59 105.98 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 9.0 tt -72.99 -52.46 14.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.401 ' OD2' ' SG ' ' A' ' 21' ' ' CYS . 3.3 p30 -84.56 135.38 40.89 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.611 0.72 . . . . 0.0 110.891 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -37.29 9.39 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.644 2.229 . . . . 0.0 112.366 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -58.63 -36.49 74.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . 0.414 ' HA ' ' HD2' ' A' ' 137' ' ' PRO . 28.1 mm-40 -115.98 102.7 53.86 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.635 0.731 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 136' ' ' GLN . 53.5 Cg_endo -69.81 176.54 6.67 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.366 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.419 ' CB ' ' HB3' ' A' ' 111' ' ' PHE . . . -62.96 -45.91 90.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -50.2 -54.67 18.53 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -43.4 -29.47 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.721 0.296 . . . . 0.0 111.067 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.55 HD13 ' CZ ' ' A' ' 111' ' ' PHE . 55.7 mt -76.31 -71.72 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 145' ' ' ILE . 17.4 m -46.58 -53.92 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.5 ' O ' ' CG ' ' A' ' 147' ' ' LYS . 98.2 m -41.87 -51.44 4.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.123 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -59.73 -30.26 68.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 142' ' ' VAL . 71.0 mt -73.44 -73.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 5.5 p -47.02 -23.41 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.186 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 143' ' ' THR . 10.6 mmtp -67.54 -57.25 6.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.433 HG13 ' CD2' ' A' ' 149' ' ' LEU . 9.7 p -88.17 -49.04 14.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.441 ' CD1' HG21 ' A' ' 85' ' ' VAL . 4.5 mm? -58.04 -62.57 1.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 10.4 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.856 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.504 ' C ' ' CD1' ' A' ' 15' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.824 0.345 . . . . 0.0 110.931 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.451 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 1.1 ptp180 -76.64 -23.55 53.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 35.3 tp60 -65.45 -28.4 69.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.2 130.44 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.499 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.64 119.19 23.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.784 0.326 . . . . 0.0 111.087 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.42 126.8 16.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.9 p -159.78 160.24 33.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 t -81.34 128.05 33.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.8 m -115.94 -175.52 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.141 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.544 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 2.2 tm? -119.63 117.34 28.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -85.46 99.02 10.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.946 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.512 HD22 ' CG ' ' A' ' 100' ' ' TRP . 55.7 mt -61.69 -69.25 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.3 t -170.93 160.0 6.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.0 p -119.46 122.6 42.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 55.8 t -113.69 111.39 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.159 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -47.12 116.29 1.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 32' ' ' GLU . 71.5 p -112.91 38.13 2.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.093 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 31' ' ' THR . 1.3 pp20? -34.47 -53.3 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.429 ' N ' ' CD ' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -86.44 -45.96 10.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 -179.787 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 31' ' ' THR . 2.3 mm? -61.9 135.57 57.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.7 t -155.23 164.71 38.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.29 -155.59 40.27 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -8.86 24.67 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.686 2.257 . . . . 0.0 112.319 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.1 tp60 -83.65 -48.75 9.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -47.73 -40.9 21.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.3 t -65.2 -36.58 78.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.85 -31.93 71.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.6 ttt85 -62.36 -58.67 6.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.76 -48.74 5.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.057 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.7 m -63.97 -45.93 86.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.8 m -52.15 -45.5 65.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.84 -34.36 62.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.31 -30.93 71.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.8 mt -93.4 -38.99 11.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.4 t -67.08 -53.2 33.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -54.92 151.4 8.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.521 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 21.0 p -157.45 153.84 24.13 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.672 0.749 . . . . 0.0 110.832 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.7 Cg_endo -69.78 175.87 34.93 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.356 -0.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.1 mtm-85 -47.07 138.46 7.57 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.628 0.727 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 176.29 6.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.661 2.241 . . . . 0.0 112.331 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.1 m -114.48 96.59 43.85 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.567 0.698 . . . . 0.0 111.16 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 153.28 69.26 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.736 2.291 . . . . 0.0 112.319 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -124.73 136.32 53.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.453 HG23 ' CD1' ' A' ' 132' ' ' LEU . 2.4 p -86.59 121.05 37.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.133 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.6 m -132.51 -178.29 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.443 ' CG ' ' N ' ' A' ' 61' ' ' PHE . 40.0 t-80 -94.85 163.15 13.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.443 ' N ' ' CG ' ' A' ' 60' ' ' HIS . 8.1 t80 -141.93 133.45 26.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.56 135.63 46.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.556 HG13 ' CD2' ' A' ' 144' ' ' PHE . 75.7 t -119.08 109.73 27.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 96.2 p -139.54 161.54 37.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.89 -43.16 69.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.068 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 -60.17 -13.27 11.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.16 -155.23 20.93 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 87.2 mt -113.33 148.9 15.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.879 0.371 . . . . 0.0 111.191 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 90.6 m -131.22 138.46 49.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.5 mt -127.15 124.84 40.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.965 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 62.2 m -118.72 138.11 52.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -121.82 146.94 46.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -104.93 -41.43 5.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -71.27 -13.97 62.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 47.86 47.45 18.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -74.04 -39.36 63.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.0 mt -125.71 -49.49 1.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -139.64 -179.22 5.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.541 ' CD2' ' HB2' ' A' ' 80' ' ' ARG . 45.1 t80 -129.38 -64.58 0.89 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.541 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 27.0 ttp180 -124.77 99.41 6.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 25.6 mtp85 -125.76 121.3 32.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.515 ' C ' ' CD2' ' A' ' 82' ' ' HIS . 0.7 OUTLIER -122.25 150.53 42.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -126.05 150.06 68.24 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.692 0.758 . . . . 0.0 110.906 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 167.61 23.99 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.353 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 13.8 p -77.65 -37.37 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.171 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -56.2 -57.54 11.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.0 p -39.88 -59.65 1.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.8 mt -52.48 97.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 77.1 p -113.47 -21.77 10.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -139.42 143.69 37.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 46.0 t -172.77 105.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.1 t -156.61 148.17 22.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 21.4 p -44.08 137.66 3.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.197 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.412 ' CG ' ' HD2' ' A' ' 95' ' ' PRO . 4.0 t70 -46.67 140.37 5.91 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.577 0.703 . . . . 0.0 110.838 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.412 ' HD2' ' CG ' ' A' ' 94' ' ' ASP . 54.2 Cg_endo -69.72 -31.68 20.2 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 0.0 112.361 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -62.1 -30.4 70.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 22.4 t0 60.57 28.52 18.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -77.72 155.35 31.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 -106.7 128.36 54.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.512 ' CG ' HD22 ' A' ' 26' ' ' LEU . 67.5 t-105 -91.84 107.63 19.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 30.4 m -69.93 92.14 0.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.145 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.421 ' ND2' ' OG ' ' A' ' 108' ' ' SER . 18.8 m-80 -56.24 160.42 4.96 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.602 0.715 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -5.36 16.05 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.695 2.263 . . . . 0.0 112.29 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -96.45 24.72 5.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.896 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 56.95 53.36 44.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.518 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.8 t -156.45 150.24 24.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.372 . . . . 0.0 111.139 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 37.1 p -93.94 155.3 17.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.159 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.421 ' OG ' ' ND2' ' A' ' 102' ' ' ASN . 11.1 p -152.36 130.34 11.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -61.44 133.5 55.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 54.9 mt -84.54 120.52 35.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -133.45 157.26 46.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -170.23 176.47 43.89 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -139.34 173.59 11.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 16.9 t -127.04 114.37 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.13 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -119.57 140.09 51.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -65.6 146.07 55.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.422 ' CG ' HG23 ' A' ' 125' ' ' VAL . 33.5 mttm -59.37 149.23 70.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.557 0.694 . . . . 0.0 110.919 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -46.81 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.71 2.273 . . . . 0.0 112.367 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -84.98 -35.34 12.8 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.432 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 45.3 m -109.82 93.27 14.24 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.686 0.755 . . . . 0.0 110.843 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.53 ' HG2' ' CE3' ' A' ' 122' ' ' TRP . 53.5 Cg_endo -69.78 -1.73 8.98 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.329 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . 0.53 ' CE3' ' HG2' ' A' ' 121' ' ' PRO . 1.8 p90 -99.33 -13.35 19.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -105.57 175.55 5.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -146.06 142.85 28.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.422 HG23 ' CG ' ' A' ' 117' ' ' LYS . 96.7 t -130.66 116.59 35.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 34.0 t -92.06 143.39 26.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -116.06 149.17 39.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.581 ' O ' ' CD1' ' A' ' 129' ' ' PHE . 8.0 tp -107.56 146.79 31.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.581 ' CD1' ' O ' ' A' ' 128' ' ' LEU . 34.4 m-85 -152.67 162.19 41.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -134.58 149.45 50.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.079 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.38 114.03 2.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.453 ' CD1' HG23 ' A' ' 58' ' ' VAL . 9.2 tt -89.05 -46.49 8.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.97 141.49 25.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.579 0.704 . . . . 0.0 110.858 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -46.01 1.35 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.688 2.259 . . . . 0.0 112.303 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -50.62 -40.0 51.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -107.55 86.63 2.91 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.579 0.704 . . . . 0.0 110.951 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 146.54 60.59 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.36 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -42.8 -48.26 5.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -47.69 -53.32 13.51 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.33 -27.11 33.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.779 0.324 . . . . 0.0 111.076 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 51.4 mt -78.79 -71.84 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.4 m -46.69 -46.78 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 91.9 m -52.76 -58.44 6.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' PHE . . . . . 0.556 ' CD2' HG13 ' A' ' 63' ' ' VAL . 20.6 t80 -49.36 -36.77 22.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 55.0 mt -62.69 -70.41 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 57.3 p -51.93 -19.8 1.98 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.19 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.33 -41.45 24.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 82.9 t -95.91 -61.82 2.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -49.79 -68.58 0.16 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . 0.458 ' N ' HD12 ' A' ' 150' ' ' LEU . 8.4 mp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.834 0.35 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -47.42 -42.17 21.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -62.42 -60.07 4.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 73.79 131.15 0.19 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.444 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.34 119.88 33.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 111.066 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.56 135.77 48.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.4 p -157.02 165.89 34.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.6 t -86.09 130.29 34.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.9 m -112.68 172.97 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.509 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 1.3 tm? -103.26 111.53 23.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -85.05 94.44 8.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.472 ' CD2' ' CD1' ' A' ' 100' ' ' TRP . 53.4 mt -60.83 -64.02 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.5 t -173.85 163.41 4.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.088 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.0 p -114.4 122.81 47.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.3 t -117.17 123.87 72.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.125 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -60.05 126.72 28.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 32' ' ' GLU . 75.2 p -125.35 35.99 4.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.169 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 31' ' ' THR . 12.8 pt-20 -34.19 -48.21 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 t -91.5 -42.48 10.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 31' ' ' THR . 2.1 mm? -65.64 143.29 57.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.2 t -162.28 171.86 16.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.22 -147.62 44.56 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 -27.5 26.05 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.659 2.24 . . . . 0.0 112.311 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -66.38 -52.89 42.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -44.94 -48.88 11.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 44.3 t -60.84 -30.03 46.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.122 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.68 -58.11 3.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.5 ttt85 -40.02 -59.82 1.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.84 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -37.99 -63.63 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.075 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.1 m -41.87 -46.03 3.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.1 t -60.64 -59.75 4.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -47.04 -45.69 21.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.061 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.02 -33.06 10.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.124 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mt -92.92 -41.97 9.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.6 t -66.39 -17.31 64.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 51' ' ' SER . 1.4 t -90.92 14.89 12.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.536 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 68.9 p -36.46 151.39 0.11 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.69 0.757 . . . . 0.0 110.851 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.6 Cg_endo -69.79 150.53 90.37 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 -1.811 . . . . 0.0 112.319 0.075 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 52' ' ' PRO . 32.2 mtt85 -34.67 126.36 0.52 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.619 0.723 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 145.81 58.44 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.721 2.281 . . . . 0.0 112.322 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 91.5 m -78.13 111.63 19.77 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.625 0.726 . . . . 0.0 111.146 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 169.79 18.06 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.663 2.242 . . . . 0.0 112.376 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -140.19 146.19 38.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.0 m -87.4 137.2 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.461 HG11 ' CB ' ' A' ' 72' ' ' ASP . 21.4 m -142.39 164.3 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -85.51 139.4 31.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -124.39 132.14 53.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -134.85 126.86 29.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.528 HG13 ' CE2' ' A' ' 144' ' ' PHE . 97.8 t -106.7 100.23 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.063 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.4 p -138.51 156.09 47.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -43.93 -56.78 3.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.11 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 65' ' ' ALA . 39.7 tp60 -37.45 -30.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . 142.76 -127.72 3.24 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.452 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 94.2 mt -144.84 128.25 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.38 . . . . 0.0 111.087 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 55.0 m -113.68 140.9 47.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 17.7 mt -132.28 131.23 41.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 20.7 m -124.17 126.35 46.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.461 ' CB ' HG11 ' A' ' 59' ' ' VAL . 19.2 t0 -111.86 -58.46 2.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 74.96 25.01 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -110.51 -25.38 10.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.417 ' HD3' ' CD1' ' A' ' 79' ' ' PHE . 16.8 mmm180 45.14 42.03 6.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -113.26 -43.01 3.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 23.4 mt -118.07 -40.42 2.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -161.58 133.44 5.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.417 ' CD1' ' HD3' ' A' ' 75' ' ' ARG . 10.2 t80 -93.95 171.49 8.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -41.73 136.49 1.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.503 ' HB3' ' CZ ' ' A' ' 83' ' ' TYR . 43.4 mtt180 -148.76 119.15 7.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -99.39 126.32 45.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.503 ' CZ ' ' HB3' ' A' ' 81' ' ' ARG . 10.0 m-85 -118.1 134.44 23.34 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.688 0.756 . . . . 0.0 110.928 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 146.49 60.72 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.724 2.282 . . . . 0.0 112.358 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.3 p -45.92 -27.08 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.143 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 87' ' ' SER . 58.2 m-20 -64.16 -63.08 1.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 86' ' ' ASN . 28.3 t -35.88 -59.31 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 29.3 mt -55.31 111.55 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.075 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 46.0 p -117.9 -47.04 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -119.73 138.01 53.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.8 t -160.73 112.0 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 m -161.35 156.6 24.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 94' ' ' ASP . 1.2 p -58.03 142.76 45.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.193 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.427 ' CG ' ' HD2' ' A' ' 95' ' ' PRO . 7.0 t70 -36.0 139.98 0.39 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.606 0.717 . . . . 0.0 110.823 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.444 ' HG2' ' NE2' ' A' ' 96' ' ' GLN . 54.1 Cg_endo -69.83 -37.04 9.55 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.659 2.239 . . . . 0.0 112.341 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.444 ' NE2' ' HG2' ' A' ' 95' ' ' PRO . 26.2 mp0 -80.58 -26.78 37.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.0 t70 65.2 37.1 6.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -65.45 159.2 24.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -101.35 127.79 47.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.472 ' CD1' ' CD2' ' A' ' 26' ' ' LEU . 33.9 t-105 -91.0 103.1 15.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 31.3 m -72.12 92.01 1.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.114 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -46.7 160.49 0.32 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.606 0.717 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 1.55 4.39 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 0.0 112.319 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -96.58 -39.22 9.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 129.29 26.7 0.87 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.466 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 34.2 p -130.25 151.41 50.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.9 0.381 . . . . 0.0 111.135 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 41.2 p -88.48 157.76 18.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 43.0 m -154.66 153.41 31.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.81 133.01 40.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.872 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 62.7 mt -99.47 122.85 51.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -140.05 164.63 29.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 175.95 162.86 27.66 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.415 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 3.9 p90 -115.36 176.82 4.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.924 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 22.5 t -123.85 103.74 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -109.55 142.15 41.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 33.5 mttm -70.38 153.15 43.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.438 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 7.6 ttmm -64.13 138.72 97.5 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.564 0.697 . . . . 0.0 110.906 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.438 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 53.5 Cg_endo -69.74 -2.33 9.97 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.365 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -117.91 -33.28 1.29 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.469 ' HB3' ' CE2' ' A' ' 122' ' ' TRP . 73.9 m -133.27 120.84 16.23 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.642 0.734 . . . . 0.0 110.865 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -19.12 36.8 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.676 2.25 . . . . 0.0 112.376 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . 0.469 ' CE2' ' HB3' ' A' ' 120' ' ' SER . 38.1 p90 -86.87 -16.34 36.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.401 ' CG ' ' CD1' ' A' ' 122' ' ' TRP . 17.4 mt-10 -101.7 116.43 32.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 31' ' ' THR . 5.3 m-80 -98.36 144.63 27.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 89.6 t -133.89 105.06 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 46.7 t -84.35 137.35 33.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -107.74 122.88 47.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 9.2 tp -81.84 146.41 29.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -152.34 172.06 17.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -149.96 159.21 44.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.067 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -60.54 115.11 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 7.4 tt -95.17 -45.69 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 10.8 p30 -108.96 138.6 20.4 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.643 0.735 . . . . 0.0 110.879 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -45.68 1.51 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.308 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.402 ' OD1' ' OE1' ' A' ' 136' ' ' GLN . 0.6 OUTLIER -48.4 -47.18 37.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . 0.402 ' OE1' ' OD1' ' A' ' 135' ' ' ASP . 7.4 mp0 -104.46 101.65 28.9 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.575 0.702 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 153.64 68.61 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.668 2.245 . . . . 0.0 112.332 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -47.15 -50.11 21.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.087 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -47.68 -58.64 6.61 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.523 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -42.65 -35.99 1.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.75 0.309 . . . . 0.0 111.114 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 58.9 mt -69.2 -73.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.137 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 6.4 m -48.34 -51.42 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 88.3 m -48.49 -60.71 2.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.186 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' PHE . . . . . 0.528 ' CE2' HG13 ' A' ' 63' ' ' VAL . 14.5 t80 -48.51 -51.6 26.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 64.2 mt -46.92 -57.42 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 28.8 p -61.69 -40.49 95.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -55.16 -39.64 69.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 74.8 t -92.58 -63.56 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.082 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.459 HD22 ' N ' ' A' ' 149' ' ' LEU . 1.2 mm? -48.81 -70.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 64.6 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.911 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.9 mt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.829 0.347 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.4 mtp85 -45.8 -25.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -93.31 -179.08 4.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.78 138.59 5.77 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.513 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.42 119.36 35.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 111.083 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.5 125.38 16.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.2 m -162.74 -178.01 5.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.415 ' C ' HD21 ' A' ' 132' ' ' LEU . 3.3 m -92.2 152.77 19.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.481 HG23 ' CD1' ' A' ' 129' ' ' PHE . 33.7 m -140.45 163.95 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.122 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.415 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 2.7 tm? -95.22 121.77 37.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -90.81 111.1 22.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.494 HD21 ' CD2' ' A' ' 100' ' ' TRP . 22.3 mt -80.05 -64.2 1.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.4 t -173.42 168.99 4.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.5 p -127.9 113.68 16.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.7 t -102.78 127.24 56.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.118 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -57.35 124.03 17.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.418 ' O ' ' ND2' ' A' ' 124' ' ' ASN . 71.9 p -118.98 34.82 5.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -47.8 -40.81 22.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.8 t -89.38 -34.87 16.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.428 HD11 ' CD ' ' A' ' 42' ' ' ARG . 2.6 mt -80.96 163.86 22.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -175.25 154.21 1.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.111 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.34 -149.01 30.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.533 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.423 ' HD3' ' CE2' ' A' ' 90' ' ' PHE . 54.2 Cg_endo -69.71 -7.29 20.67 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.37 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' A' ' 41' ' ' ALA . 15.7 tp60 -82.05 -65.56 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 38' ' ' GLN . . . -34.37 -41.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.2 t -64.63 -45.57 95.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 38' ' ' GLN . . . -62.99 -21.93 66.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.081 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.428 ' CD ' HD11 ' A' ' 34' ' ' LEU . 17.3 ttt85 -77.53 -57.92 3.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -38.86 -60.35 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.9 m -49.89 -50.2 46.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 m -51.63 -35.19 40.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.7 -29.02 24.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.104 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.36 -25.75 66.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.072 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.8 mt -93.87 -35.37 12.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.7 m -64.87 -53.07 52.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 30.2 t -43.91 137.34 3.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.51 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 37.1 p -149.27 132.4 8.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.685 0.755 . . . . 0.0 110.896 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.3 Cg_endo -69.74 149.51 88.65 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.674 -1.803 . . . . 0.0 112.323 0.012 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.9 ptp85 -40.69 145.27 0.54 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.646 0.736 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 146.75 61.09 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.693 2.262 . . . . 0.0 112.311 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.0 m -86.21 110.51 31.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.6 0.714 . . . . 0.0 111.131 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 172.83 11.95 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.667 2.244 . . . . 0.0 112.332 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.32 140.97 25.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.5 t -81.83 126.86 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.9 m -139.41 157.57 27.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -76.98 143.5 39.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -128.54 142.69 50.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -146.77 141.25 26.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.7 t -119.28 113.26 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.0 t -140.65 178.65 7.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.826 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.01 -36.97 75.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.102 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -63.75 -10.39 19.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 120.66 -157.03 15.95 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.516 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.452 HG12 ' CD1' ' A' ' 88' ' ' ILE . 14.2 mm -92.91 149.44 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 111.139 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 m -133.37 117.26 17.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.48 128.93 54.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 94.1 m -135.73 135.01 39.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -122.17 159.82 26.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -112.89 -15.6 12.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -80.31 -33.26 37.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 59.56 36.26 22.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.9 mmmt -81.73 -63.44 1.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.9 mt -80.77 -48.29 12.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -162.34 178.38 8.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 80' ' ' ARG . 16.9 t80 -113.89 173.0 6.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 79' ' ' PHE . 7.7 ptm180 -34.53 143.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -157.99 140.09 14.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -102.69 138.98 38.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -111.8 125.62 29.99 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.629 0.728 . . . . 0.0 110.96 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.491 ' O ' ' N ' ' A' ' 86' ' ' ASN . 53.7 Cg_endo -69.74 122.49 9.17 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.718 2.279 . . . . 0.0 112.327 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 84' ' ' PRO . 7.7 p -36.57 -29.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' A' ' 84' ' ' PRO . 11.2 m120 -63.44 -50.98 67.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.7 p -44.04 -51.62 7.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.452 ' CD1' HG12 ' A' ' 68' ' ' ILE . 13.5 mt -59.01 123.92 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.116 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.463 ' O ' ' CD2' ' A' ' 150' ' ' LEU . 37.3 p -124.92 -44.24 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.423 ' CE2' ' HD3' ' A' ' 37' ' ' PRO . 29.5 t80 -137.54 125.57 22.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.5 t -141.0 115.36 9.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.4 t -166.92 148.13 5.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.7 p -47.49 151.85 0.73 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -60.51 138.79 92.61 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.582 0.706 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -27.95 26.12 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -67.7 -29.08 68.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 22.7 t0 59.52 37.55 22.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.4 mtp85 -84.55 164.02 18.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -109.12 149.48 29.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.494 ' CD2' HD21 ' A' ' 26' ' ' LEU . 67.4 t-105 -113.68 110.96 21.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.1 m -73.94 90.89 1.97 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.135 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -41.8 155.47 0.23 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.616 0.722 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -3.1 11.34 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.715 2.277 . . . . 0.0 112.36 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -95.69 -40.5 9.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 132.14 60.6 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.536 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.1 t -166.19 158.13 13.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.898 0.38 . . . . 0.0 111.104 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 72.9 p -101.59 156.32 17.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 45.8 m -154.63 157.41 38.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -80.14 128.39 33.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 89.1 mt -81.58 143.81 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.561 ' CD1' ' HB3' ' A' ' 138' ' ' ALA . 4.3 p90 -160.17 164.24 33.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 179.35 170.54 41.32 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.433 ' CE2' ' HB1' ' A' ' 115' ' ' ALA . 3.6 p90 -134.99 158.56 44.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.885 0.374 . . . . 0.0 110.883 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t -107.56 107.16 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.433 ' HB1' ' CE2' ' A' ' 113' ' ' PHE . . . -118.04 157.35 26.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.059 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 58.9 mttt -64.8 144.13 57.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -61.72 135.99 94.54 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.605 0.717 . . . . 0.0 110.868 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -1.48 8.56 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.716 2.278 . . . . 0.0 112.309 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -121.41 -19.49 3.47 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.432 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.417 ' HA ' ' HD2' ' A' ' 121' ' ' PRO . 4.7 m -144.85 105.09 4.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.704 0.764 . . . . 0.0 110.875 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 120' ' ' SER . 53.5 Cg_endo -69.75 -4.5 14.15 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.731 2.287 . . . . 0.0 112.339 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 5.9 p90 -96.08 9.26 41.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -137.04 170.6 15.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 31' ' ' THR . 5.1 p30 -142.46 132.61 24.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -135.08 127.76 48.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.113 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 31.3 t -83.92 160.05 21.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -130.64 93.77 3.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.43 ' HG ' ' CD1' ' A' ' 26' ' ' LEU . 8.9 tp -49.78 156.86 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.496 ' HB3' ' CE1' ' A' ' 111' ' ' PHE . 17.7 m-85 -160.14 172.42 17.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -152.23 144.57 24.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.089 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.98 97.68 1.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.465 HD21 ' N ' ' A' ' 23' ' ' VAL . 0.6 OUTLIER -78.51 -24.28 45.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -105.39 119.53 52.55 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.595 0.712 . . . . 0.0 110.893 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -13.03 34.26 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.711 2.274 . . . . 0.0 112.345 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -68.22 -25.95 65.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -145.76 117.39 5.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.55 0.69 . . . . 0.0 110.953 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 162.12 43.31 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.643 2.229 . . . . 0.0 112.324 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.561 ' HB3' ' CD1' ' A' ' 111' ' ' PHE . . . -61.23 -45.28 95.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -46.11 -56.2 7.06 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.456 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -48.36 -33.55 9.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.768 0.318 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 40.0 mt -74.46 -72.86 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 6.3 m -43.7 -38.99 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 55.3 m -61.74 -48.1 82.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.159 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -62.52 -25.01 67.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 67.5 mt -70.87 -71.92 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -50.25 -38.36 40.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -55.39 -43.69 75.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 96.4 t -94.59 -63.08 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -51.24 -57.68 8.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . 0.463 ' CD2' ' O ' ' A' ' 89' ' ' THR . 8.2 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.5 p -159.07 112.78 2.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.369 . . . . 0.0 110.87 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.1 p -89.8 173.95 7.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.84 144.47 6.35 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.52 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.7 p -119.37 119.12 33.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 0.0 110.871 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -51.01 159.65 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.22 45.1 1.37 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.0 72.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.744 0.307 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.8 p -71.64 -62.24 1.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.8 p -151.9 132.86 14.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.097 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.07 -24.19 21.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -49.42 -56.18 10.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -51.17 -41.46 60.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.6 mt -62.76 -55.56 25.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.6 mt -49.16 -47.15 46.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.443 ' CZ ' ' HB3' ' A' ' 16' ' ' ARG . 9.0 mtp-105 -39.41 -38.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.414 ' O ' ' CZ ' ' A' ' 144' ' ' PHE . 27.2 mm-40 -94.59 130.22 41.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -140.66 142.47 12.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.22 121.4 36.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.783 0.325 . . . . 0.0 111.114 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.85 120.13 11.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.1 m -165.55 -178.67 5.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.829 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.454 ' HB2' ' CD2' ' A' ' 132' ' ' LEU . 5.5 m -82.37 144.53 30.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.2 m -127.32 178.09 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.078 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.47 ' CD1' HD21 ' A' ' 26' ' ' LEU . 3.2 tm? -109.21 110.79 22.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -78.75 108.81 12.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.47 HD21 ' CD1' ' A' ' 24' ' ' LEU . 85.6 mt -81.65 -72.96 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.966 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.444 ' O ' ' CB ' ' A' ' 128' ' ' LEU . 15.2 t -174.04 155.17 2.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 p -118.82 133.35 55.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 55.9 t -120.77 140.04 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -72.92 125.02 26.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 32' ' ' GLU . 64.8 p -110.54 34.87 3.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 31' ' ' THR . 2.2 pt-20 -34.64 -43.85 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.4 t -100.39 -33.25 10.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -74.83 153.51 38.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.926 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 t -171.23 169.61 6.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.34 -155.3 53.01 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -4.56 14.29 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.655 2.236 . . . . 0.0 112.363 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -86.88 -49.61 7.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.932 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -45.39 -45.08 12.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.2 t -61.43 -30.59 48.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.47 -39.49 67.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.9 ttt85 -56.65 -66.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -38.4 -49.17 1.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.084 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.9 m -54.49 -49.49 70.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.4 t -62.76 -37.25 85.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.826 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.5 -16.17 58.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.09 -32.36 56.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 mt -97.88 -27.82 14.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 m -64.2 -52.27 59.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 50.1 t -71.65 137.42 47.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.483 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 1.5 m -139.22 160.79 60.8 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.619 0.724 . . . . 0.0 110.888 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.4 Cg_endo -69.84 155.12 93.63 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.3 0.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 52' ' ' PRO . 2.8 ppt_? -34.26 144.32 0.19 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.559 0.695 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 160.02 51.26 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.715 2.277 . . . . 0.0 112.32 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.3 m -103.69 94.31 6.06 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.544 0.688 . . . . 0.0 111.184 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.434 ' HB2' ' CD1' ' A' ' 24' ' ' LEU . 54.2 Cg_endo -69.73 153.03 69.57 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.653 2.236 . . . . 0.0 112.371 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -131.13 156.47 45.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.0 m -84.6 133.6 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.4 m -140.62 -175.69 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.167 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.431 ' N ' ' O ' ' A' ' 71' ' ' THR . 57.9 t-80 -104.0 148.53 26.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -136.33 131.21 34.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -136.6 133.0 35.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.4 t -107.05 108.23 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.6 m -133.06 156.25 47.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.91 -21.28 28.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.07 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -76.04 -3.35 35.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 124.79 -129.71 7.16 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.435 HD13 ' CD1' ' A' ' 88' ' ' ILE . 94.2 mt -137.88 121.76 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.378 . . . . 0.0 111.092 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.3 m -111.64 140.78 45.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.91 146.91 52.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 60' ' ' HIS . 44.3 m -148.93 131.52 15.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -110.05 171.03 7.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -126.92 10.23 6.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -97.02 -34.03 11.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.414 ' NH1' ' HB2' ' A' ' 75' ' ' ARG . 25.8 mtm105 62.13 49.46 4.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.44 ' CE ' ' HA ' ' A' ' 76' ' ' LYS . 2.3 mmpt? -109.14 -70.62 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.6 mt -80.99 -28.99 35.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.931 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -169.28 172.53 7.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -108.84 -60.0 1.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -151.29 124.98 9.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -142.5 143.83 32.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -146.61 152.07 38.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -120.02 143.98 36.59 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.671 0.748 . . . . 0.0 110.918 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 153.96 68.04 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.626 2.217 . . . . 0.0 112.338 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.2 p -68.41 -19.71 24.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -75.21 -1.55 23.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.0 p -105.44 -63.96 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.435 ' CD1' HD13 ' A' ' 68' ' ' ILE . 24.5 mt -47.1 111.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.72 -26.89 8.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' ' 91' ' ' SER . 16.7 t80 -134.75 149.72 50.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.445 ' O ' ' CG2' ' A' ' 146' ' ' THR . 31.2 t -174.5 116.27 0.19 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.0 t -174.24 149.56 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.864 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -44.01 142.66 1.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.111 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.484 ' OD2' ' N ' ' A' ' 97' ' ' ASP . 0.5 OUTLIER -49.1 139.18 13.07 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.629 0.728 . . . . 0.0 110.852 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -38.75 7.48 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.741 2.294 . . . . 0.0 112.378 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -64.0 -7.63 9.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.484 ' N ' ' OD2' ' A' ' 94' ' ' ASP . 17.5 t70 47.34 38.74 7.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -77.56 160.81 28.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.42 ' NH1' ' HD3' ' A' ' 109' ' ' LYS . 31.5 mmt180 -118.68 149.79 40.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 56.6 t-105 -110.69 104.36 13.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.0 m -71.05 96.16 1.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.173 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -52.66 158.41 2.15 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.597 0.713 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 0.98 4.86 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.314 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -92.79 -24.13 18.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 112.42 42.67 0.95 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.475 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 15.4 t -153.85 155.69 36.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.877 0.37 . . . . 0.0 111.125 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 40.9 p -102.48 153.64 19.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.5 m -142.87 149.07 38.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.42 ' HD3' ' NH1' ' A' ' 99' ' ' ARG . 12.2 tptm -66.7 128.11 35.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 61.8 mt -89.35 135.28 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -147.23 152.06 37.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.16 169.38 41.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -132.21 171.47 13.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.906 0.384 . . . . 0.0 110.886 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.4 t -123.4 126.2 72.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.156 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -139.6 163.35 32.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.085 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.88 133.03 34.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.469 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 4.4 ttmm -47.22 140.46 6.89 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.609 0.718 . . . . 0.0 110.881 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 53.5 Cg_endo -69.73 -12.96 34.04 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.714 2.276 . . . . 0.0 112.345 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -106.28 -19.82 9.68 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.509 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 29.8 m -149.51 118.3 3.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.693 0.759 . . . . 0.0 110.861 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -29.63 23.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.689 2.259 . . . . 0.0 112.387 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 33.8 p90 -78.9 -6.27 55.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -108.43 116.78 32.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 124' ' ' ASN . 0.3 OUTLIER -99.12 146.95 25.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -153.28 119.89 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.41 ' SG ' ' CG2' ' A' ' 31' ' ' THR . 7.4 p -89.64 149.16 22.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -115.98 115.05 25.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.444 ' CB ' ' O ' ' A' ' 27' ' ' THR . 8.8 tp -82.01 140.12 34.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -140.79 166.16 25.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -138.0 157.76 45.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -66.82 125.44 25.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.454 ' CD2' ' HB2' ' A' ' 22' ' ' SER . 7.1 tp -99.81 -52.99 3.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.921 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -115.55 147.47 38.91 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.621 0.724 . . . . 0.0 110.866 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -45.39 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.663 2.242 . . . . 0.0 112.364 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -43.56 -47.94 7.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -112.81 84.01 6.32 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 156.73 62.65 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.701 2.267 . . . . 0.0 112.357 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -51.24 -49.74 60.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -49.69 -42.38 36.31 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.518 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -70.95 -21.46 62.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.742 0.306 . . . . 0.0 111.087 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 68.2 mt -83.94 -69.08 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.098 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 2.0 m -47.23 -44.11 8.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 21.8 m -51.71 -63.27 1.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' PHE . . . . . 0.414 ' CZ ' ' O ' ' A' ' 17' ' ' GLN . 20.0 t80 -42.53 -37.42 1.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 45.7 mt -65.86 -59.2 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.11 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.445 ' CG2' ' O ' ' A' ' 91' ' ' SER . 50.6 p -58.81 -15.36 11.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -84.41 -43.56 14.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.958 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 53.1 t -94.81 -70.4 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -38.72 -59.96 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 6.1 mp -74.52 -73.72 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 126.68 73.18 0.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -125.33 132.47 52.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.812 0.339 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.66 159.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -71.57 146.66 48.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 30.7 t -85.09 -67.85 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -65.74 144.73 47.35 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.51 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 178.7 4.3 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.706 2.271 . . . . 0.0 112.322 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.1 t -174.54 115.84 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 11.1 m -75.35 157.54 34.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.442 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.8 p -49.7 158.13 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 110.822 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 t -94.5 168.8 10.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.7 85.12 1.08 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.452 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -118.89 88.51 2.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.358 . . . . 0.0 110.794 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.0 m -41.81 -59.06 1.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.75 75.38 2.37 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.3 ptm -101.71 -23.32 14.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 m -111.31 32.5 5.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.866 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.2 p -111.73 94.9 5.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.174 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.85 -45.72 23.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.52 -48.34 57.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.097 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.97 -53.31 57.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 15' ' ' LEU . 2.5 mt -42.07 -62.91 0.83 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 14' ' ' LEU . 81.5 mt -34.85 -60.76 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -38.47 -46.33 1.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -64.95 -50.92 64.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.04 137.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.11 120.53 31.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.831 0.348 . . . . 0.0 111.126 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.77 124.8 12.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.065 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.0 p -160.11 177.65 10.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.6 m -90.53 135.21 33.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.458 HG11 ' CG ' ' A' ' 61' ' ' PHE . 35.2 m -118.78 167.85 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.137 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -100.99 113.6 26.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -83.05 103.47 12.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.425 HD23 ' CD2' ' A' ' 100' ' ' TRP . 52.9 mt -75.01 -72.92 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.957 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.8 t -165.78 -179.79 5.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.3 m -141.58 122.34 14.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.3 t -116.53 152.51 18.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.131 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -75.35 125.09 28.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 78.3 p -121.59 37.54 4.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.109 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -44.65 -46.61 10.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.26 -26.75 18.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.436 ' CD1' ' HB3' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -81.0 152.34 28.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.865 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 7.8 t -167.91 -175.68 2.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.427 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . 45.25 -144.25 2.95 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -1.85 9.17 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.436 ' HB3' ' CD1' ' A' ' 34' ' ' LEU . 11.9 mt-30 -86.35 -46.98 9.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.72 -53.23 60.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.068 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.6 t -57.99 -35.93 54.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.141 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.411 ' HB3' ' CG ' ' A' ' 95' ' ' PRO . . . -73.27 -29.34 62.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.093 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -69.24 -64.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.23 -58.12 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 p -55.85 -49.12 74.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.0 t -51.73 -44.53 63.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 48' ' ' LEU . . . -71.87 -58.93 3.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.112 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -38.04 -26.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 46' ' ' ALA . 13.4 mt -99.22 -43.58 6.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.1 t -66.45 -53.72 32.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -67.55 148.57 51.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.499 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 1.2 p -149.56 159.55 36.11 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.666 0.746 . . . . 0.0 110.888 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.7 Cg_endo -69.82 167.32 71.63 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.623 -1.824 . . . . 0.0 112.353 0.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.04 143.06 98.26 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.622 0.725 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 164.12 35.71 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.721 2.281 . . . . 0.0 112.331 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 99.7 m -99.47 102.33 16.1 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.627 0.727 . . . . 0.0 111.187 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 171.17 14.91 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.695 2.263 . . . . 0.0 112.358 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.67 153.44 38.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.1 t -83.64 131.6 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.159 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.457 HG12 ' CZ ' ' A' ' 78' ' ' PHE . 25.6 m -142.08 173.59 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -93.59 150.04 20.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.458 ' CG ' HG11 ' A' ' 23' ' ' VAL . 16.6 t80 -135.05 139.15 44.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -150.87 150.2 30.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.3 t -134.75 117.03 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 t -142.77 -179.42 6.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.86 -14.66 35.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.08 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -91.48 14.87 13.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.71 -146.17 18.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.46 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.437 HG13 ' CD1' ' A' ' 88' ' ' ILE . 67.9 mt -103.78 142.52 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 111.147 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 54.5 m -133.98 136.1 43.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.175 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.4 mt -132.09 148.73 52.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.0 m -140.0 116.67 10.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.097 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -108.53 121.99 46.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -91.93 10.05 30.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -101.83 -18.41 15.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 52.8 mtt85 43.73 50.08 6.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.455 ' CE ' ' HA ' ' A' ' 76' ' ' LYS . 2.5 mmpt? -102.62 -63.33 1.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -97.56 -47.45 5.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.457 ' CZ ' HG12 ' A' ' 59' ' ' VAL . 22.7 p90 -147.77 121.19 9.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 79' ' ' PHE . 1.8 t80 -63.55 -72.43 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 32.3 ttt85 -145.54 122.52 11.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -124.85 135.05 52.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -120.07 122.85 42.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -111.35 127.93 26.14 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.707 0.765 . . . . 0.0 110.937 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.409 ' HG2' ' CB ' ' A' ' 87' ' ' SER . 54.1 Cg_endo -69.71 143.73 52.02 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.8 p -47.57 -45.56 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' A' ' 87' ' ' SER . 17.4 t30 -55.08 -61.98 1.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 86' ' ' ASN . 13.6 t -36.06 -40.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.824 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.437 ' CD1' HG13 ' A' ' 68' ' ' ILE . 69.2 mt -79.27 123.82 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 37.4 p -125.25 -24.3 4.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -139.33 138.5 36.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.472 ' O ' ' CG2' ' A' ' 146' ' ' THR . 4.1 t -165.98 112.3 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.6 t -161.88 149.67 14.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.1 p -47.83 162.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -67.06 140.28 95.84 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.652 0.739 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.411 ' CG ' ' HB3' ' A' ' 41' ' ' ALA . 53.8 Cg_endo -69.71 -42.25 3.63 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.72 2.28 . . . . 0.0 112.327 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -63.49 -15.42 57.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 51.75 30.42 6.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? -69.75 156.35 39.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 -107.67 138.06 44.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.425 ' CD2' HD23 ' A' ' 26' ' ' LEU . 35.0 t-105 -100.64 123.27 44.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 22.6 m -81.0 100.8 9.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -54.45 151.79 13.4 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.657 0.741 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 2.38 3.58 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.341 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -99.17 -25.37 14.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 115.31 58.3 0.35 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.2 t -167.82 149.77 5.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.905 0.383 . . . . 0.0 111.127 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 46.5 p -94.88 150.18 20.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.9 m -146.99 169.48 19.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 68.6 tttt -86.42 148.57 25.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 75.2 mt -103.17 142.7 16.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -160.93 166.91 27.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 177.5 -170.22 42.6 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.487 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -148.86 166.43 28.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.9 0.381 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.7 t -116.38 114.19 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -118.26 153.72 33.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -80.64 145.8 31.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.439 ' CG ' HG21 ' A' ' 125' ' ' VAL . 20.2 mtpt -64.8 148.37 97.32 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 0.0 110.902 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -33.02 17.43 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.687 2.258 . . . . 0.0 112.355 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -103.23 -21.69 9.8 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.486 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 56.0 m -119.15 83.9 25.89 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.639 0.733 . . . . 0.0 110.894 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -2.11 9.64 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.665 2.243 . . . . 0.0 112.303 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 6.8 p90 -103.13 -4.74 24.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -115.23 165.15 13.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -127.12 141.95 51.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.439 HG21 ' CG ' ' A' ' 117' ' ' LYS . 48.5 t -135.13 115.16 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 42.8 t -95.9 144.52 26.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -117.15 127.06 53.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 10.2 tp -86.91 140.22 29.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -145.16 172.52 12.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -147.67 137.45 22.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.435 ' O ' ' CD ' ' A' ' 131' ' ' GLU . 3.0 pp20? -52.49 115.17 1.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.4 HD23 ' N ' ' A' ' 133' ' ' ASP . 10.3 tt -83.15 -57.16 3.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.413 ' CG ' ' HD2' ' A' ' 134' ' ' PRO . 4.7 t70 -92.23 143.33 27.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.523 0.677 . . . . 0.0 110.866 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . 0.413 ' HD2' ' CG ' ' A' ' 133' ' ' ASP . 54.1 Cg_endo -69.75 -48.37 0.74 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.647 2.231 . . . . 0.0 112.356 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.52 -39.47 34.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.832 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -118.86 82.07 20.23 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.711 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 178.02 4.95 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.722 2.281 . . . . 0.0 112.367 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.24 -48.88 74.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.083 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -48.88 -46.54 31.99 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.464 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.58 -23.95 67.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.811 0.339 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 41.0 mt -79.03 -72.01 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.1 m -39.52 -43.92 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.44 ' O ' ' CG ' ' A' ' 147' ' ' LYS . 98.9 m -58.27 -55.01 40.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' PHE . . . . . 0.422 ' CE2' HD22 ' A' ' 14' ' ' LEU . 48.3 t80 -55.52 -27.67 50.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 60.7 mt -75.7 -71.77 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.472 ' CG2' ' O ' ' A' ' 91' ' ' SER . 16.2 p -47.92 -20.51 0.32 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 143' ' ' THR . 21.8 mmtt -72.31 -52.61 15.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.463 HG11 ' N ' ' A' ' 149' ' ' LEU . 8.6 p -91.7 -49.97 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.093 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.463 ' N ' HG11 ' A' ' 148' ' ' VAL . 3.9 mm? -52.92 -63.92 0.99 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 6.5 mp -77.19 6.45 6.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -139.16 84.17 0.23 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.522 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -118.34 152.67 35.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.81 0.338 . . . . 0.0 110.929 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 17.7 mtm180 -117.14 -31.15 5.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt 38.53 54.44 1.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 4.4 m -56.78 -64.26 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 144.26 70.56 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.526 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -0.42 6.85 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 89.3 p -48.21 140.05 7.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.8 m -165.91 160.99 17.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.837 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.505 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.4 m -155.51 -178.96 7.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.883 0.373 . . . . 0.0 110.833 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -48.27 171.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.21 177.25 0.16 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.47 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.3 p -138.54 -176.79 4.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.908 0.385 . . . . 0.0 110.856 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -130.8 179.53 5.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.43 110.46 0.61 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -135.28 117.97 16.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.782 0.325 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.0 m -138.84 175.88 9.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.6 p -39.89 109.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.12 -47.39 10.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.073 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -39.91 -36.28 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.065 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -65.83 -53.43 40.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.84 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.9 mt -42.32 -61.14 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.0 mp -40.55 -53.22 2.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.1 mtp85 -45.13 -47.41 12.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -68.34 -55.52 11.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.07 127.0 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.444 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.65 119.37 37.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.829 0.347 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.07 122.61 11.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.2 t -152.42 170.6 19.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.9 t -80.0 133.04 36.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.826 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.5 m -119.44 176.62 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.12 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -106.96 116.75 32.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -85.1 121.38 27.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.0 mt -93.9 -70.09 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.4 t -169.38 172.85 6.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.3 p -135.81 122.72 21.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.3 t -104.82 149.42 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -73.59 118.99 17.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 52.2 p -113.63 40.84 2.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -42.66 -48.1 5.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.0 t -101.15 -22.95 14.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.422 ' CD1' ' HB3' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -70.58 137.26 49.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 75.5 p -153.35 153.0 31.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.176 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.99 -142.72 29.98 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -25.13 28.73 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.71 2.274 . . . . 0.0 112.335 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.422 ' HB3' ' CD1' ' A' ' 34' ' ' LEU . 33.6 mt-30 -58.75 -50.57 73.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.82 -57.64 7.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.8 t -53.96 -39.61 41.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.93 -31.61 70.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.074 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.4 ttt85 -70.92 -58.8 3.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.32 -42.6 3.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.1 m -72.38 -54.64 8.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.7 m -43.92 -33.69 1.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 48' ' ' LEU . . . -82.81 -63.05 1.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.128 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -38.17 -26.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.104 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 46' ' ' ALA . 3.8 mt -99.22 -41.47 7.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 38.3 t -68.0 -53.55 25.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -67.14 148.21 52.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.521 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 6.2 m -145.95 156.62 51.3 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.648 0.737 . . . . 0.0 110.85 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.9 Cg_endo -69.75 176.02 34.21 Favored 'Cis proline' 0 C--N 1.341 0.139 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.315 -0.021 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.43 ' HD2' ' CH2' ' A' ' 100' ' ' TRP . 7.0 mtm105 -69.6 140.5 89.64 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.622 0.725 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 152.45 69.36 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.67 2.246 . . . . 0.0 112.34 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 47.9 m -87.78 110.03 31.65 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.589 0.709 . . . . 0.0 111.139 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 170.75 15.87 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.68 2.253 . . . . 0.0 112.381 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.0 144.36 22.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.6 m -82.66 133.81 28.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.7 m -144.42 165.82 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -79.85 153.5 29.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.824 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -144.99 133.65 22.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.4 ttpp -138.1 156.82 47.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.1 t -134.82 122.49 38.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.3 t -143.44 177.94 8.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.38 -27.64 64.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -72.01 -16.89 62.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 133.0 -134.48 7.56 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.5 mm -119.92 149.18 22.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.929 0.395 . . . . 0.0 111.104 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.2 m -138.66 116.39 11.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.174 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 18.9 mt -111.52 139.44 46.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.448 HG22 ' N ' ' A' ' 72' ' ' ASP . 59.3 m -125.13 140.66 52.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.544 ' OD1' ' CZ ' ' A' ' 78' ' ' PHE . 7.6 m-20 -121.99 135.32 54.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -105.61 -45.29 4.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -65.89 -23.12 66.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 56.25 47.43 19.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt -89.2 -56.53 3.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -94.31 -45.89 7.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.544 ' CZ ' ' OD1' ' A' ' 72' ' ' ASP . 47.6 p90 -151.26 173.45 14.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -107.04 -74.05 0.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -135.97 141.56 44.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -155.41 119.94 4.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -115.07 127.65 55.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -118.75 143.21 33.13 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.677 0.751 . . . . 0.0 110.947 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -169.75 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.321 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.416 ' CG2' HD12 ' A' ' 149' ' ' LEU . 10.9 p -97.01 -17.73 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.158 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -77.19 -30.89 54.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.826 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.4 t -63.17 -47.06 84.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.0 mt -72.38 116.53 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.132 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 17.3 p -111.17 -45.75 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -127.99 136.92 51.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.499 ' O ' ' CG2' ' A' ' 146' ' ' THR . 11.8 t -156.56 114.2 3.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.908 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.0 t -162.23 147.02 12.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.826 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.6 p -44.04 169.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.133 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -63.53 133.46 95.52 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.651 0.738 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -23.47 30.67 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.729 2.286 . . . . 0.0 112.342 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -83.52 -14.71 51.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 57.54 30.12 18.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -73.77 159.54 32.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.82 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.9 mmt85 -113.2 148.49 35.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.43 ' CH2' ' HD2' ' A' ' 53' ' ' ARG . 57.8 t-105 -109.35 119.19 38.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 59.5 m -78.71 91.69 4.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -47.0 160.08 0.35 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.633 0.73 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 0.33 5.83 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.666 2.244 . . . . 0.0 112.358 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -93.8 -33.41 13.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 121.13 42.49 0.47 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.44 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.7 t -149.87 155.18 39.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.342 . . . . 0.0 111.172 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 25.3 p -94.41 156.24 16.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.0 p -153.24 150.83 29.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.422 ' HB3' ' CD ' ' A' ' 131' ' ' GLU . 33.4 tttt -73.01 134.89 44.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 25.4 mt -94.73 137.86 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -151.71 151.22 31.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -162.76 172.38 38.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.466 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -134.2 157.65 45.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.893 0.377 . . . . 0.0 110.841 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 1.9 t -111.76 114.66 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.157 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -124.19 160.63 27.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -81.29 140.48 34.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.44 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 49.0 tttt -56.97 139.19 78.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.592 0.711 . . . . 0.0 110.896 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 53.6 Cg_endo -69.84 -8.16 22.9 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 2.27 . . . . 0.0 112.317 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -119.66 -35.23 0.93 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.518 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.2 m -119.15 98.13 50.69 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.659 0.742 . . . . 0.0 110.853 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.42 ' HD2' ' CZ3' ' A' ' 122' ' ' TRP . 53.9 Cg_endo -69.76 -8.49 23.74 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.671 2.247 . . . . 0.0 112.391 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . 0.568 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 29.0 p90 -98.34 16.35 21.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.568 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 43.1 mt-10 -145.7 133.05 20.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -105.13 143.17 33.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 2.4 t -133.53 131.86 57.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 15.7 p -102.17 147.56 26.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -122.23 110.93 16.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.794 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.549 ' O ' ' CD1' ' A' ' 129' ' ' PHE . 6.6 tp -75.47 150.89 38.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 128' ' ' LEU . 28.2 m-85 -152.36 171.5 17.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -139.58 165.96 25.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.058 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.422 ' CD ' ' HB3' ' A' ' 109' ' ' LYS . 98.2 mt-10 -75.63 110.14 9.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 9.6 tt -80.57 -45.1 17.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -122.21 146.59 47.21 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.599 0.714 . . . . 0.0 110.891 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -42.87 3.04 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -45.95 -48.89 16.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -111.0 86.47 6.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.599 0.714 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 161.57 45.43 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.676 2.25 . . . . 0.0 112.354 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -56.08 -48.46 76.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.083 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -51.13 -42.08 47.82 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.521 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.27 -21.54 66.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.752 0.311 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 34.1 mt -83.46 -73.28 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.4 m -40.66 -46.74 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.094 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 4.9 m -51.11 -63.83 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' PHE . . . . . 0.405 ' C ' ' CD1' ' A' ' 144' ' ' PHE . 6.1 t80 -53.68 -40.78 66.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 32.3 mt -54.52 -72.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 91' ' ' SER . 6.4 p -54.76 -36.59 65.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.412 ' NZ ' ' HB3' ' A' ' 147' ' ' LYS . 0.8 OUTLIER -45.43 -60.96 1.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.464 HG11 ' CD2' ' A' ' 149' ' ' LEU . 5.0 p -81.58 -37.46 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.136 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.464 ' CD2' HG11 ' A' ' 148' ' ' VAL . 1.0 OUTLIER -70.22 -71.07 0.26 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 146' ' ' THR . 2.3 mm? -63.26 -13.88 43.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 153' ' ' ARG . . . -95.37 -66.39 0.98 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.454 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 151' ' ' GLY . 9.4 pt20 34.15 34.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.829 0.347 . . . . 0.0 110.91 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 151' ' ' GLY . 29.7 mmt180 -67.07 122.53 17.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp 49.06 43.17 22.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 40.8 p -62.79 137.12 58.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -143.47 151.24 23.12 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 155.43 65.79 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.638 2.226 . . . . 0.0 112.367 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 35.7 m -153.89 161.17 42.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 30.4 t -159.01 132.72 7.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.0 p -91.71 108.05 19.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.887 0.375 . . . . 0.0 110.855 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.8 m -84.77 98.65 10.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.846 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.42 87.3 1.44 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.49 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.9 t -137.69 144.1 41.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.877 0.37 . . . . 0.0 110.854 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.3 p -98.89 130.31 45.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.69 78.24 0.26 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.8 mmt -85.59 133.42 34.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.791 0.329 . . . . 0.0 110.856 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.5 p -151.37 118.15 5.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 75.4 p -133.03 108.92 9.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -80.56 -53.57 6.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -40.32 -25.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.065 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' ALA . 29.8 m-20 -94.46 -43.45 8.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 mt -52.2 -45.39 65.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.21 -50.14 74.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.3 mtp180 -46.89 -23.35 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -90.04 -56.03 3.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.26 155.16 1.81 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.529 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.95 123.55 40.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 111.078 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.95 121.08 9.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.058 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.0 t -160.83 171.71 18.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.5 m -86.28 136.26 33.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.408 HG22 ' CE2' ' A' ' 129' ' ' PHE . 18.1 m -125.14 169.08 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.161 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.401 HD12 ' C ' ' A' ' 24' ' ' LEU . 3.3 tm? -105.23 111.6 24.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -76.73 129.43 36.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.8 mt -98.6 -65.86 0.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.0 t -174.33 -179.88 1.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.1 p -138.12 115.57 11.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.4 t -106.82 105.58 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -46.28 128.34 9.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 32' ' ' GLU . 46.8 p -117.16 37.28 3.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.169 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 31' ' ' THR . 6.5 pt-20 -35.09 -43.85 0.22 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.2 t -94.56 -42.52 8.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -68.45 158.33 33.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.7 t -174.5 162.71 3.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.7 -155.54 37.39 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.533 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -11.19 30.32 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -84.07 -46.02 12.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -49.19 -34.33 14.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.9 t -66.99 -40.48 85.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.12 -48.41 76.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -44.32 -58.03 3.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.63 -40.96 41.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.0 m -64.6 -46.41 82.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 m -63.01 -42.11 99.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.02 -31.96 61.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.8 -32.37 72.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.3 mt -92.36 -40.51 10.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.0 t -67.22 -53.17 32.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 43.2 t -52.38 140.82 21.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.535 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 10.7 m -147.71 153.52 43.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.613 0.721 . . . . 0.0 110.897 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 51' ' ' SER . 54.2 Cg_endo -69.77 138.33 48.54 Favored 'Cis proline' 0 C--O 1.231 0.167 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.351 -0.059 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 52' ' ' PRO . 12.1 ptt85 -33.82 141.25 0.23 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.651 0.739 . . . . 0.0 110.876 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 167.98 22.87 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.72 2.28 . . . . 0.0 112.315 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 84.7 m -107.0 109.76 63.25 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.588 0.708 . . . . 0.0 111.139 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 174.94 8.83 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.679 2.252 . . . . 0.0 112.294 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.26 145.26 20.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.095 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.8 m -80.63 136.7 22.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.152 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.5 m -144.58 178.94 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -101.16 142.19 32.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -119.1 147.19 44.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -147.39 135.8 21.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.6 t -121.03 106.6 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.9 t -134.51 -179.94 5.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.49 -23.37 62.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -74.78 -12.97 60.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.11 -115.7 2.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.518 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.402 HG13 ' CD1' ' A' ' 88' ' ' ILE . 68.3 mt -143.55 133.35 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.902 0.382 . . . . 0.0 111.123 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.7 m -118.82 121.77 40.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.7 mt -116.2 143.36 45.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 37.4 m -140.5 144.85 36.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.084 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -130.17 143.23 50.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -83.9 -57.78 3.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 75' ' ' ARG . 3.9 mp0 -68.95 -14.11 62.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 74' ' ' GLN . 26.0 ptt180 34.77 39.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.3 mttm -57.77 -37.81 74.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.8 mt -113.69 -48.39 2.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -144.2 126.75 15.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.564 ' CD2' ' HB2' ' A' ' 80' ' ' ARG . 57.8 t80 -74.93 -73.05 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.564 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 12.0 ttm-85 -121.39 146.53 46.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -164.9 122.46 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -127.44 135.14 50.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -115.33 148.86 41.73 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.65 0.738 . . . . 0.0 110.944 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 170.66 16.06 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.329 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.0 p -77.14 -23.5 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -74.78 -50.25 17.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.0 p -39.43 -58.51 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.402 ' CD1' HG13 ' A' ' 68' ' ' ILE . 35.4 mt -57.7 108.37 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.182 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.9 p -102.9 -40.12 6.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.174 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -135.17 149.95 50.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.488 ' O ' ' CG2' ' A' ' 146' ' ' THR . 15.9 t -165.06 123.23 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.835 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.1 t -174.17 147.29 1.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.9 p -41.31 156.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -58.64 138.98 86.1 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.568 0.699 . . . . 0.0 110.844 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -51.26 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.717 2.278 . . . . 0.0 112.347 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -58.28 -26.45 63.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.4 t70 65.2 32.61 9.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -73.63 165.14 25.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -110.17 163.87 13.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 61.7 t-105 -126.65 105.4 8.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.9 m -72.01 96.99 1.8 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.176 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -51.4 156.41 2.09 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.643 0.735 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -0.63 7.17 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.67 2.247 . . . . 0.0 112.366 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -96.95 -23.01 16.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 111.38 61.87 0.48 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.528 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.1 t -168.72 149.28 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.903 0.382 . . . . 0.0 111.099 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 42.4 p -92.42 146.05 23.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.1 p -141.64 146.91 36.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 110' ' ' ILE . 1.0 OUTLIER -69.54 143.0 53.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.41 ' N ' ' HD3' ' A' ' 109' ' ' LYS . 87.5 mt -99.95 140.47 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.151 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.513 ' CZ ' HD13 ' A' ' 141' ' ' ILE . 10.7 p90 -162.9 155.75 19.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -172.79 -171.34 37.47 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.412 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 4.1 p90 -142.99 164.86 28.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.897 0.38 . . . . 0.0 110.875 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 10.9 t -106.72 111.38 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.17 163.42 19.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -85.26 154.82 21.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.458 ' CG ' HG12 ' A' ' 125' ' ' VAL . 15.1 mtpt -62.37 154.36 72.14 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.543 0.687 . . . . 0.0 110.931 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -51.13 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -90.03 -14.51 59.07 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.9 m -120.74 88.21 43.44 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.638 0.732 . . . . 0.0 110.872 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -3.77 12.7 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.677 2.251 . . . . 0.0 112.322 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 13.8 p90 -105.26 -0.01 26.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -111.52 168.62 9.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -128.15 141.94 51.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.458 HG12 ' CG ' ' A' ' 117' ' ' LYS . 1.9 p -152.1 107.04 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.167 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 12.1 t -81.27 145.33 30.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 -115.6 124.56 51.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.9 tp -89.21 149.99 22.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.42 ' N ' ' O ' ' A' ' 111' ' ' PHE . 33.3 m-85 -146.21 169.85 17.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -136.73 160.94 37.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -66.82 130.66 43.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 7.7 tt -109.81 -51.04 2.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.43 ' CG ' ' HD2' ' A' ' 134' ' ' PRO . 1.8 t70 -112.28 141.27 24.76 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.605 0.717 . . . . 0.0 110.852 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' ' 133' ' ' ASP . 54.0 Cg_endo -69.82 -25.37 28.39 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.671 2.247 . . . . 0.0 112.343 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.78 -43.88 91.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -111.14 94.35 20.94 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.405 ' O ' ' N ' ' A' ' 140' ' ' ALA . 54.0 Cg_endo -69.79 141.04 44.05 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.68 2.253 . . . . 0.0 112.354 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.491 ' HB1' ' CG ' ' A' ' 111' ' ' PHE . . . -38.43 -48.47 1.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -57.54 -38.88 89.58 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 137' ' ' PRO . . . -62.27 -16.65 55.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.692 0.282 . . . . 0.0 111.067 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.513 HD13 ' CZ ' ' A' ' 111' ' ' PHE . 57.7 mt -87.7 -73.75 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.2 m -41.88 -38.16 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 86.9 m -56.31 -69.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -39.28 -38.32 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 37.3 mt -64.36 -67.2 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 91' ' ' SER . 58.2 p -53.19 -22.94 7.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -75.31 -41.72 56.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.448 ' O ' ' C ' ' A' ' 149' ' ' LEU . 79.7 t -96.7 -70.96 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.08 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 148' ' ' VAL . 4.0 mm? -34.29 -70.65 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 30.6 mt -68.17 -32.5 72.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -84.11 78.17 2.04 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.436 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -98.54 74.49 2.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . 0.407 ' HD2' ' C ' ' A' ' 153' ' ' ARG . 4.6 ppt_? -69.57 -22.19 63.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 47.7 tttt -85.03 96.36 9.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 78.7 p -91.38 155.86 18.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.812 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 122.96 -167.52 15.21 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.71 103.72 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 3.5 m -39.13 -57.78 1.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 83.0 p -110.93 159.06 18.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.856 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.474 -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -104.9 163.23 12.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 110.874 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 t -76.06 122.59 24.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.87 166.44 31.37 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.525 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.6 t -112.32 -52.97 2.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.844 0.354 . . . . 0.0 110.838 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t 50.58 41.62 25.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.26 -137.39 0.72 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.493 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.3 mtt -76.12 119.3 19.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.781 0.324 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.5 m -134.05 170.45 15.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.2 m -121.06 121.02 37.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.118 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 12' ' ' ALA . . . -90.19 -39.69 12.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 11' ' ' ALA . . . -35.17 -61.45 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.092 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -55.08 -53.86 50.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.8 mt -50.6 -64.46 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.9 mt -52.21 -40.19 61.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.981 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -42.4 -42.95 3.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -58.04 -55.6 32.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.61 107.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.453 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.39 122.61 41.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.842 0.353 . . . . 0.0 111.104 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.47 128.33 15.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.3 m -157.53 171.48 20.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.0 m -80.4 131.44 35.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.1 m -115.9 173.74 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.409 ' CD1' ' HB2' ' A' ' 56' ' ' PRO . 2.5 tm? -108.98 112.97 25.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -85.22 100.35 11.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.497 ' CD2' ' CD1' ' A' ' 100' ' ' TRP . 41.1 mt -66.56 -67.07 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.6 t -173.01 165.59 5.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.7 p -126.5 126.26 43.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.6 t -111.34 142.83 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -73.27 115.97 13.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.4 p -112.47 38.78 2.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.186 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -39.4 -49.29 2.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.4 t -92.73 -37.29 12.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.873 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -66.94 135.19 53.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.5 p -146.02 173.87 11.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.45 -153.34 43.45 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -5.33 15.99 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.345 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -80.82 -40.21 25.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.49 -51.78 68.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.0 t -53.2 -44.16 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.14 -47.18 84.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.143 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.1 ttt85 -48.04 -56.27 8.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.28 -45.5 12.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.4 m -70.53 -63.35 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.7 m -40.96 -41.97 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.42 -39.74 62.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.063 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.89 -29.25 59.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.7 mt -99.08 -40.23 8.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.9 m -64.24 -51.62 62.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -73.88 153.61 39.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.499 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 1.5 m -151.47 160.79 31.25 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.636 0.731 . . . . 0.0 110.893 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.2 Cg_endo -69.81 177.55 28.61 Favored 'Cis proline' 0 C--O 1.231 0.156 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.32 0.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.518 ' HD2' ' CH2' ' A' ' 100' ' ' TRP . 17.5 mtm180 -62.0 143.02 95.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.582 0.706 . . . . 0.0 110.845 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 162.23 42.91 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.651 2.234 . . . . 0.0 112.381 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 94.1 m -100.66 99.17 9.46 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.586 0.708 . . . . 0.0 111.164 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.409 ' HB2' ' CD1' ' A' ' 24' ' ' LEU . 54.1 Cg_endo -69.73 152.57 69.5 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.736 2.29 . . . . 0.0 112.324 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -131.06 157.59 42.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.3 t -91.85 126.82 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.153 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.0 m -139.6 152.64 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -69.07 156.63 38.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -145.8 132.95 20.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.2 tttp -140.9 145.26 35.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.485 HG13 ' CE2' ' A' ' 144' ' ' PHE . 77.2 t -121.71 111.71 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.1 t -141.57 174.44 10.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -57.21 -59.41 5.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.075 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -39.93 -25.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . 137.0 -135.45 7.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.466 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 86.9 mt -123.43 131.08 73.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.905 0.383 . . . . 0.0 111.128 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.414 HG22 ' N ' ' A' ' 70' ' ' LEU . 28.0 m -116.91 140.56 49.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.414 ' N ' HG22 ' A' ' 69' ' ' THR . 6.9 mt -133.79 136.99 44.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.416 HG23 ' N ' ' A' ' 72' ' ' ASP . 93.5 m -127.42 147.9 50.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.416 ' N ' HG23 ' A' ' 71' ' ' THR . 9.4 t70 -131.56 144.63 51.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -105.98 -43.62 4.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 20.6 mp0 -69.44 -12.08 61.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 43.64 40.99 3.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.1 mttp -65.95 -45.93 80.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.6 mt -119.53 -45.44 2.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -143.89 168.82 19.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -107.33 -60.37 1.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.837 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -145.08 142.35 29.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -159.52 122.69 3.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -122.75 119.31 30.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.826 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -92.77 149.24 37.53 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.672 0.749 . . . . 0.0 110.917 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 85' ' ' VAL . 53.2 Cg_endo -69.76 131.28 20.9 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.263 . . . . 0.0 112.328 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 84' ' ' PRO . 14.5 p -35.95 -35.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 87' ' ' SER . 2.8 m120 -64.83 -52.69 55.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 86' ' ' ASN . 14.5 t -34.94 -58.77 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.3 mt -57.04 118.16 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 43.1 p -119.04 -47.74 2.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.095 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -122.96 122.69 39.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.6 t -146.19 112.02 5.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.821 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.8 t -164.76 149.09 9.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.433 ' CG2' HG22 ' A' ' 142' ' ' VAL . 16.8 p -44.17 145.84 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.153 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.428 ' CG ' ' HD2' ' A' ' 95' ' ' PRO . 2.1 t70 -47.36 140.8 7.05 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.587 0.708 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 94' ' ' ASP . 54.2 Cg_endo -69.76 -31.4 20.62 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.722 2.281 . . . . 0.0 112.336 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -75.07 -9.88 58.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 44.16 37.4 1.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -84.46 159.55 20.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -103.97 154.42 19.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.518 ' CH2' ' HD2' ' A' ' 53' ' ' ARG . 68.7 t-105 -118.45 109.79 16.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.5 m -62.66 105.09 0.6 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.08 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -61.74 161.5 20.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.63 0.728 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 2.95 3.07 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.69 2.26 . . . . 0.0 112.362 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -99.6 -39.49 8.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 142.65 -23.52 2.33 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.3 t -90.19 157.33 17.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.372 . . . . 0.0 111.132 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 68.4 p -98.86 155.81 17.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.158 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.3 p -134.54 163.78 28.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -84.17 127.05 33.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 89.6 mt -81.25 131.65 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.51 ' CD1' ' HB3' ' A' ' 138' ' ' ALA . 7.2 p90 -153.5 161.61 42.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 177.04 164.42 30.77 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.438 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -122.34 169.8 10.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.865 0.364 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 18.4 t -114.03 115.85 50.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.95 140.06 52.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.065 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -66.45 151.91 46.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.476 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 14.7 ttmm -69.76 139.58 88.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 0.0 110.92 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 54.0 Cg_endo -69.74 3.23 2.88 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.717 2.278 . . . . 0.0 112.353 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -126.2 -29.22 0.95 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.503 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.6 m -125.3 97.14 37.83 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.692 0.758 . . . . 0.0 110.85 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.423 ' HG2' ' CE3' ' A' ' 122' ' ' TRP . 54.2 Cg_endo -69.79 -13.51 34.69 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . 0.423 ' CE3' ' HG2' ' A' ' 121' ' ' PRO . 15.2 p90 -92.61 7.02 45.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -125.61 177.39 6.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -146.16 135.05 22.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 71.4 t -127.06 118.31 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 15.2 p -87.15 148.34 25.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -122.01 118.56 29.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.8 tp -84.29 140.26 31.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -146.34 174.03 11.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -156.41 130.91 8.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.467 ' HB3' ' N ' ' A' ' 138' ' ' ALA . 3.6 pt-20 -46.57 103.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 10.4 tt -73.47 -51.97 15.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -88.23 138.27 30.65 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.596 0.712 . . . . 0.0 110.875 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -43.18 2.79 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.673 2.249 . . . . 0.0 112.332 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -44.99 -46.74 11.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -114.9 108.26 48.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.605 0.717 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 170.78 15.75 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.698 2.265 . . . . 0.0 112.36 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.51 ' HB3' ' CD1' ' A' ' 111' ' ' PHE . . . -66.69 -43.63 83.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -54.21 -52.6 42.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.501 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -47.89 -30.64 4.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.771 0.319 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.44 HD13 ' CZ ' ' A' ' 111' ' ' PHE . 26.3 mt -75.17 -72.51 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.433 HG22 ' CG2' ' A' ' 93' ' ' THR . 3.8 m -40.3 -41.99 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 88.5 m -58.88 -56.34 23.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' PHE . . . . . 0.485 ' CE2' HG13 ' A' ' 63' ' ' VAL . 64.1 t80 -58.45 -33.4 69.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 90.1 mt -57.33 -73.17 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.449 ' CB ' HD13 ' A' ' 150' ' ' LEU . 22.0 p -53.19 -37.88 62.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.176 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -44.78 -61.14 1.7 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.465 ' CG1' HD22 ' A' ' 149' ' ' LEU . 7.1 p -81.1 -40.42 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.465 HD22 ' CG1' ' A' ' 148' ' ' VAL . 2.2 mm? -65.17 -70.99 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . 0.449 HD13 ' CB ' ' A' ' 146' ' ' THR . 8.1 mp -63.71 -52.62 59.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.74 107.67 3.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . 0.447 ' O ' ' C ' ' A' ' 153' ' ' ARG . 41.9 mt-30 -153.16 123.56 7.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.342 . . . . 0.0 110.916 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 152' ' ' GLN . 0.2 OUTLIER -34.81 142.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -93.74 158.5 15.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 4.5 t -67.24 157.49 33.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -67.01 157.94 50.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 96.13 0.58 Allowed 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.717 2.278 . . . . 0.0 112.361 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.5 m 53.06 51.3 16.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.815 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 72.0 m -99.05 -45.01 6.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.3 m -137.53 172.85 12.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.854 0.359 . . . . 0.0 110.896 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m -127.16 154.64 44.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.93 -126.96 0.14 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.502 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 m -136.64 173.36 11.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.887 0.375 . . . . 0.0 110.838 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.4 p -116.94 173.37 6.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.37 154.58 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.459 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.6 mmt -109.9 42.33 1.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.778 0.323 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 t -94.75 139.32 31.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.45 112.79 2.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.125 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -48.83 -23.44 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.152 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -42.85 -68.22 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.073 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.87 -42.58 76.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 15' ' ' LEU . 6.9 mp -52.61 -67.87 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -35.76 -50.29 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.64 -48.68 49.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.457 ' HG2' ' N ' ' A' ' 18' ' ' GLY . 2.0 pt20 -72.68 -37.2 67.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.457 ' N ' ' HG2' ' A' ' 17' ' ' GLN . . . 62.91 149.5 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.506 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.6 123.03 42.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.874 0.369 . . . . 0.0 111.098 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -147.52 119.34 8.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.6 m -155.82 170.82 21.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -79.8 155.9 27.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.6 m -140.79 175.73 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.136 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -108.63 110.49 21.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -81.55 104.64 12.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.0 mt -75.05 -65.84 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.924 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.4 t -174.87 160.04 2.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.7 p -119.85 116.0 24.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.453 HG11 ' N ' ' A' ' 30' ' ' GLU . 52.3 t -103.84 142.18 18.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.15 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.453 ' N ' HG11 ' A' ' 29' ' ' VAL . 7.1 mt-10 -72.16 117.96 14.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 65.9 p -114.24 37.11 3.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.168 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -38.11 -48.66 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 t -93.47 -34.1 13.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.849 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -71.85 139.85 49.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.959 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.2 t -154.01 165.66 35.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.67 -151.95 46.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.466 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -21.25 33.77 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 0.0 112.323 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -66.08 -46.45 77.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.32 -41.91 66.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.042 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.5 t -62.06 -48.67 87.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.18 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.44 -46.64 73.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.096 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.5 ttt85 -55.59 -64.1 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.23 -38.06 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.7 m -71.01 -42.34 69.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.3 t -64.95 -40.51 95.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.825 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.4 -33.98 75.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.079 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.14 -43.78 94.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.3 mt -76.32 -38.55 55.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.4 t -64.59 -50.29 67.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 36.9 t -44.01 138.64 2.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.495 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 27.8 m -149.59 127.92 5.92 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.693 0.759 . . . . 0.0 110.823 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.9 Cg_endo -69.68 140.39 60.03 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.342 -0.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.1 ptp85 -41.27 147.18 0.47 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.58 0.705 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 148.42 64.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.656 2.237 . . . . 0.0 112.332 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.6 m -90.8 114.25 60.73 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.624 0.726 . . . . 0.0 111.13 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 174.93 8.79 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.725 2.283 . . . . 0.0 112.377 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.08 154.1 37.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.085 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.7 m -90.03 132.62 34.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.9 m -143.79 171.92 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -92.5 140.78 29.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -125.51 121.61 34.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -129.96 140.42 50.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.48 HG13 ' CE2' ' A' ' 144' ' ' PHE . 80.4 t -128.2 111.85 25.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.108 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.4 t -139.22 -175.55 4.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.27 -23.38 62.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.082 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -76.63 -11.25 59.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.35 -120.42 4.86 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.431 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.5 mt -134.24 132.24 55.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.899 0.38 . . . . 0.0 111.098 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.5 m -118.56 140.09 50.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 56.1 mt -130.63 141.9 50.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.3 m -143.52 121.44 12.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.43 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 15.6 t70 -105.61 122.33 45.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -101.17 20.75 15.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 75' ' ' ARG . 25.7 mm-40 -111.33 -7.73 14.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 74' ' ' GLN . 58.2 mtm180 37.25 44.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -93.85 -56.41 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.7 mt -106.68 -44.97 4.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.43 ' CZ ' ' HB2' ' A' ' 72' ' ' ASP . 2.5 p90 -142.38 174.53 10.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -108.43 -58.67 1.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.0 mtp85 -140.66 154.95 46.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -165.35 126.53 1.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -141.02 133.15 27.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.419 ' OH ' ' CE1' ' A' ' 127' ' ' HIS . 17.4 m-85 -111.99 143.73 29.31 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.737 0.78 . . . . 0.0 110.908 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 149.11 66.58 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.653 2.235 . . . . 0.0 112.36 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 14.4 p -54.92 -18.53 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 87' ' ' SER . 10.4 t30 -79.08 -60.18 2.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 86' ' ' ASN . 10.6 t -36.14 -49.79 0.68 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 13.0 mt -60.74 123.96 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 81.8 p -124.37 -44.34 2.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -126.98 151.52 48.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.426 ' O ' ' CG2' ' A' ' 146' ' ' THR . 16.4 t -169.74 119.2 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.4 t -168.82 152.1 5.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.6 p -52.32 149.34 5.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -52.74 142.54 32.79 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.569 0.7 . . . . 0.0 110.855 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.43 ' HG2' ' NE2' ' A' ' 96' ' ' GLN . 54.0 Cg_endo -69.78 -34.11 15.18 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.683 2.256 . . . . 0.0 112.344 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.43 ' NE2' ' HG2' ' A' ' 95' ' ' PRO . 28.3 mp0 -76.17 -16.39 59.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 43.14 46.38 5.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -81.88 175.09 10.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -110.86 145.38 38.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 41.1 t-105 -108.36 102.72 11.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.1 m -72.51 94.66 1.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.174 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -50.11 160.59 0.66 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.665 0.745 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -7.08 20.13 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.342 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -88.25 -39.16 14.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 127.73 41.42 0.29 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.0 t -143.21 148.4 36.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.937 0.398 . . . . 0.0 111.125 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.8 p -95.21 156.78 16.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 67.0 m -158.67 156.03 29.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 47.6 tttt -69.24 159.74 32.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 60.1 mt -119.65 139.66 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.568 ' CD1' ' HB3' ' A' ' 138' ' ' ALA . 5.8 p90 -160.95 171.63 18.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 172.16 162.14 23.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -118.5 167.38 11.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.89 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.7 t -117.43 114.63 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.05 148.41 44.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -79.41 153.73 29.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.946 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.462 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 10.3 ttmm -71.01 139.76 85.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.587 0.708 . . . . 0.0 110.886 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.462 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 53.8 Cg_endo -69.71 -9.88 27.21 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.724 2.283 . . . . 0.0 112.353 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -119.6 -15.91 5.23 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.461 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 73.2 m -134.08 96.23 16.16 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.643 0.735 . . . . 0.0 110.861 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -1.36 8.34 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.678 2.252 . . . . 0.0 112.351 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . 0.567 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 36.2 p90 -112.44 -0.36 15.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.567 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 69.0 mt-10 -120.09 106.91 12.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -80.6 142.1 34.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 45.7 t -130.76 111.83 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.112 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 2.7 t -90.64 143.56 26.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.419 ' CE1' ' OH ' ' A' ' 83' ' ' TYR . 28.3 m-70 -117.54 124.62 49.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.536 ' O ' ' CD1' ' A' ' 129' ' ' PHE . 13.5 tp -87.28 148.3 25.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.536 ' CD1' ' O ' ' A' ' 128' ' ' LEU . 42.1 m-85 -154.91 168.61 26.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -141.85 150.11 41.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.404 ' O ' ' CD ' ' A' ' 131' ' ' GLU . 2.7 pp20? -60.35 113.39 2.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 9.5 tt -84.72 -47.18 10.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.474 ' HB2' ' CG ' ' A' ' 136' ' ' GLN . 4.2 m-20 -94.87 139.75 22.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.589 0.709 . . . . 0.0 110.869 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -50.8 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.719 2.279 . . . . 0.0 112.341 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -51.99 -36.61 50.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.847 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . 0.474 ' CG ' ' HB2' ' A' ' 133' ' ' ASP . 5.9 pt20 -113.68 96.27 40.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.598 0.714 . . . . 0.0 110.946 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 162.33 42.45 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.677 2.252 . . . . 0.0 112.338 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.568 ' HB3' ' CD1' ' A' ' 111' ' ' PHE . . . -46.05 -49.14 16.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -49.79 -55.9 13.18 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.526 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -42.59 -25.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.752 0.311 . . . . 0.0 111.079 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 23.7 mt -81.12 -70.93 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 14.3 m -45.61 -44.48 4.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 43.4 m -50.81 -53.26 33.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' PHE . . . . . 0.48 ' CE2' HG13 ' A' ' 63' ' ' VAL . 70.2 t80 -58.79 -43.21 90.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 80.7 mt -52.04 -73.66 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' A' ' 91' ' ' SER . 44.3 p -48.83 -40.94 31.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.087 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -53.55 -41.05 66.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.423 HG22 ' CD2' ' A' ' 15' ' ' LEU . 94.8 t -94.44 -62.84 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -48.16 -69.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 6.6 mp -66.63 -36.77 83.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -101.3 61.13 0.58 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.523 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -80.06 88.72 5.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 110.902 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -57.23 157.02 6.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -101.95 153.48 19.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 58.3 p -143.64 177.63 8.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -98.24 162.49 20.86 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.454 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 107.13 1.79 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.664 2.243 . . . . 0.0 112.363 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 23.8 t -124.43 107.34 11.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 97.1 p -149.67 153.48 37.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.9 m -73.68 -59.08 2.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.953 0.406 . . . . 0.0 110.885 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 t -70.91 97.5 1.43 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.54 83.29 0.33 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.2 p -147.5 126.98 13.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.928 0.394 . . . . 0.0 110.844 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.8 m -153.94 122.94 6.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.26 121.98 2.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.461 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.9 ptm -129.74 121.57 27.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.781 0.324 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.8 t -114.81 143.17 45.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.84 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 67.5 p -85.39 144.33 28.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -48.64 -54.08 16.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -40.4 -46.38 2.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -76.96 -51.01 11.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 17' ' ' GLN . 2.3 mt -42.64 -71.48 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.1 mt -43.04 -38.62 2.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.9 ttm-85 -67.96 -36.52 80.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 14' ' ' LEU . 6.9 tp-100 -65.27 -48.59 72.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.926 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.53 129.01 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.535 ' HB1' ' CE2' ' A' ' 144' ' ' PHE . . . -127.39 121.45 30.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.336 . . . . 0.0 111.125 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.17 124.3 15.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.9 p -150.19 -178.05 6.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 m -88.39 140.52 29.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.426 ' CG1' ' HB2' ' A' ' 61' ' ' PHE . 32.7 m -124.42 152.42 30.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.118 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -98.62 108.39 21.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -77.76 125.31 29.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.486 HD22 ' CD2' ' A' ' 100' ' ' TRP . 32.9 mt -96.28 -67.01 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.6 t -169.87 -178.45 2.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.6 p -141.96 120.46 12.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.0 t -113.67 115.55 50.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -50.93 131.13 26.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.455 ' O ' ' C ' ' A' ' 32' ' ' GLU . 18.6 p -118.18 35.89 4.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.099 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 31' ' ' THR . 0.5 OUTLIER -33.79 -45.71 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 t -95.26 -35.2 11.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 31' ' ' THR . 1.7 mm? -72.62 151.68 42.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -170.48 156.23 5.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.78 -153.96 35.27 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.429 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 3.26 2.88 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.709 2.272 . . . . 0.0 112.321 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -96.99 -40.05 9.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.72 -42.14 78.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.088 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.5 t -59.72 -33.43 52.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 42' ' ' ARG . . . -67.64 -61.03 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 41' ' ' ALA . 37.5 ttt180 -35.94 -59.76 0.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.18 -60.2 1.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.4 m -54.43 -56.83 14.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.3 t -48.29 -34.14 9.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.19 -39.95 46.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.89 -31.1 66.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.4 mt -97.74 -38.64 9.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.2 t -64.28 -52.31 59.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -76.8 148.15 36.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.498 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 1.5 m -149.97 160.84 32.83 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.687 0.756 . . . . 0.0 110.849 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.9 Cg_endo -69.77 147.1 83.98 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.723 -1.782 . . . . 0.0 112.351 0.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.4 ptt-85 -39.58 144.59 0.48 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.607 0.718 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 162.59 41.46 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.754 2.303 . . . . 0.0 112.354 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.4 m -99.76 109.09 54.45 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.551 0.691 . . . . 0.0 111.142 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 173.1 11.45 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.723 2.282 . . . . 0.0 112.356 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.48 155.24 42.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.09 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.7 t -92.79 126.1 45.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.422 HG12 ' CZ ' ' A' ' 78' ' ' PHE . 30.2 m -142.12 179.56 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -103.47 165.12 11.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.426 ' HB2' ' CG1' ' A' ' 23' ' ' VAL . 12.4 t80 -143.14 138.81 30.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -144.25 136.54 26.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.9 t -117.68 115.83 49.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.157 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.0 m -139.17 179.78 6.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.813 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.91 -19.5 62.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.11 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -79.42 -20.5 47.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 132.96 -154.3 21.09 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.49 HD11 ' CE2' ' A' ' 113' ' ' PHE . 41.4 mt -103.11 143.46 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.884 0.374 . . . . 0.0 111.156 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 m -133.29 134.5 43.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.148 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.7 mt -127.58 106.99 9.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 56.8 m -106.85 139.55 41.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -131.42 143.67 50.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -111.42 19.55 18.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -97.39 -38.6 9.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.8 mtp180 56.14 30.79 17.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -100.67 -68.25 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.6 tp -75.51 -43.62 48.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.422 ' CZ ' HG12 ' A' ' 59' ' ' VAL . 4.5 p90 -162.43 -179.45 6.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.416 ' CG ' ' N ' ' A' ' 80' ' ' ARG . 37.2 t80 -118.15 171.15 8.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.416 ' N ' ' CG ' ' A' ' 79' ' ' PHE . 19.6 ttt-85 -40.36 144.12 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 33.3 mtp180 -147.87 120.05 8.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -112.64 142.42 45.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.507 ' CD1' ' N ' ' A' ' 83' ' ' TYR . 0.3 OUTLIER -128.85 145.48 56.59 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.644 0.735 . . . . 0.0 110.978 -179.856 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 170.33 16.79 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.731 2.287 . . . . 0.0 112.319 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.7 p -86.3 -12.78 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 39.6 m-20 -82.02 -18.47 43.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.7 t -84.2 -38.87 20.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.459 HD11 ' CD1' ' A' ' 68' ' ' ILE . 13.4 mt -75.26 116.95 18.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 32.9 p -121.63 -36.94 2.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -121.24 145.18 48.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.0 t -170.89 113.34 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.4 t -165.8 146.33 6.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.913 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.0 p -46.39 150.17 0.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -53.53 141.9 42.78 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.539 0.685 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.458 ' HG2' ' NE2' ' A' ' 96' ' ' GLN . 53.6 Cg_endo -69.74 -40.58 5.19 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.652 2.234 . . . . 0.0 112.38 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.458 ' NE2' ' HG2' ' A' ' 95' ' ' PRO . 28.6 mp0 -71.76 -18.23 62.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 49.7 45.88 24.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -83.92 160.18 21.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 -102.03 148.42 25.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.486 ' CD2' HD22 ' A' ' 26' ' ' LEU . 50.1 t-105 -111.05 116.58 31.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.5 m -78.32 98.39 5.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -64.33 160.68 48.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.627 0.727 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -8.46 23.66 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.696 2.264 . . . . 0.0 112.379 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -88.95 5.69 42.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 75.63 59.07 3.62 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.459 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.0 t -163.34 162.76 25.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 0.0 111.152 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 10.7 p -108.48 154.69 21.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 45.6 p -149.47 161.08 42.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -79.36 138.57 37.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 69.0 mt -94.72 139.61 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.535 ' CD1' ' HB3' ' A' ' 138' ' ' ALA . 5.5 p90 -158.84 173.15 16.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 170.48 170.58 34.94 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.49 ' CE2' HD11 ' A' ' 68' ' ' ILE . 2.5 p90 -128.44 159.26 35.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.6 t -106.62 116.79 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.182 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -129.82 146.41 51.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -66.89 149.21 50.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.475 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 28.9 ttmt -60.35 139.85 91.84 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.534 0.683 . . . . 0.0 110.901 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 53.3 Cg_endo -69.8 -8.79 24.5 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.705 2.27 . . . . 0.0 112.331 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -120.73 -3.66 10.99 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.463 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.416 ' HA ' ' HD2' ' A' ' 121' ' ' PRO . 12.3 m -158.24 105.0 1.7 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.64 0.733 . . . . 0.0 110.882 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 120' ' ' SER . 53.7 Cg_endo -69.73 -8.07 22.65 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.642 2.228 . . . . 0.0 112.364 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . 0.511 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 8.4 p90 -97.18 3.83 51.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.511 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 18.4 mt-10 -121.73 127.32 50.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.46 138.37 39.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.2 p -152.21 112.9 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 41.8 t -85.85 156.69 20.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -118.25 120.61 38.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.428 ' O ' ' CD1' ' A' ' 129' ' ' PHE . 10.5 tp -77.53 143.83 38.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.428 ' CD1' ' O ' ' A' ' 128' ' ' LEU . 24.2 m-85 -152.19 172.84 15.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -144.56 155.17 43.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.079 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.52 102.86 0.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.444 ' C ' ' CD1' ' A' ' 132' ' ' LEU . 0.2 OUTLIER -57.69 -59.45 5.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.96 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -100.33 150.36 36.86 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.612 0.72 . . . . 0.0 110.904 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -41.76 3.99 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.67 2.247 . . . . 0.0 112.31 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -53.87 -41.08 67.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -108.4 89.17 5.66 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.573 0.702 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 156.46 63.28 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.692 2.262 . . . . 0.0 112.343 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.535 ' HB3' ' CD1' ' A' ' 111' ' ' PHE . . . -49.01 -49.34 41.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.12 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -48.58 -48.76 28.29 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.459 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.04 -19.86 5.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.743 0.306 . . . . 0.0 111.101 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 32.7 mt -85.86 -73.83 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.7 m -43.98 -37.81 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 39.8 m -61.06 -57.22 13.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.193 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' PHE . . . . . 0.535 ' CE2' ' HB1' ' A' ' 19' ' ' ALA . 4.2 t80 -54.15 -35.43 62.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 65.1 mt -63.26 -72.21 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 44.9 p -50.06 -18.0 0.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.179 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 7.2 mtpp -74.36 -49.63 21.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.471 HG12 ' N ' ' A' ' 149' ' ' LEU . 7.2 p -96.64 -49.74 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.471 ' N ' HG12 ' A' ' 148' ' ' VAL . 4.3 mm? -55.58 -69.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 10.5 mp -67.79 -37.54 82.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -60.58 -111.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.538 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -154.63 172.92 17.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.762 0.315 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . 0.409 ' HD2' ' C ' ' A' ' 153' ' ' ARG . 7.7 ppt_? -126.12 170.45 11.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 19.6 mmtp -126.99 -53.23 1.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 2.5 m -133.99 164.88 26.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.862 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -117.63 127.23 7.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.503 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 97.05 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.748 2.299 . . . . 0.0 112.343 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 8.4 t -102.56 131.33 49.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.812 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 86.0 p -78.76 112.41 15.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.9 p -140.81 154.45 46.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.909 0.385 . . . . 0.0 110.891 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 t -83.56 128.96 34.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.807 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.55 173.51 35.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.3 p -140.09 161.73 36.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.352 . . . . 0.0 110.864 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.5 p -143.25 109.46 5.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.09 -44.67 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.502 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.6 mtm -82.17 -54.58 5.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.757 0.313 . . . . 0.0 110.846 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 m -48.09 126.28 10.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.3 t -101.62 154.51 18.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.15 -33.71 75.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.54 -56.15 23.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.073 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -57.98 -39.26 77.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.46 HD22 ' N ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -52.09 -52.9 48.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mt -45.57 -55.8 5.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.74 -41.27 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -70.44 -50.92 33.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.64 137.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.502 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.93 119.2 31.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.341 . . . . 0.0 111.063 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.51 121.23 13.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 p -156.03 167.67 29.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.7 m -79.14 133.98 36.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.513 HG22 ' CD1' ' A' ' 129' ' ' PHE . 32.0 m -119.81 178.45 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -108.58 113.58 26.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -89.31 95.96 10.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.506 HD23 ' CD2' ' A' ' 100' ' ' TRP . 48.6 mt -61.03 -66.9 0.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.6 t -172.74 165.09 5.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.164 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.3 t -117.95 115.73 25.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.0 t -102.08 129.25 53.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.168 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -65.24 117.6 8.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 32' ' ' GLU . 76.5 p -118.3 37.43 4.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 31' ' ' THR . 11.0 pt-20 -34.81 -48.43 0.39 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.406 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 22.7 t -94.55 -38.7 10.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.849 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -66.42 134.78 53.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.432 ' CG2' ' ND2' ' A' ' 124' ' ' ASN . 58.9 p -143.48 -176.92 5.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.95 -148.1 13.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -29.32 23.75 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.655 2.237 . . . . 0.0 112.361 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -57.99 -40.39 80.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.87 -47.25 75.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.087 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.6 t -59.31 -44.2 91.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.173 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 42' ' ' ARG . . . -60.9 -61.07 2.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.084 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 41' ' ' ALA . 14.3 ttt180 -36.95 -60.87 0.59 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.12 -51.75 3.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.074 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.0 m -59.76 -44.32 93.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 t -57.76 -43.61 85.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.85 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.12 -37.27 66.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.072 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.18 -34.6 64.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.046 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mt -98.85 -35.73 10.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.4 t -64.45 -52.33 58.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.841 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -73.04 146.83 45.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.507 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 3.8 m -149.87 157.75 37.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.702 0.763 . . . . 0.0 110.84 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.9 Cg_endo -69.71 130.25 16.24 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.724 -1.782 . . . . 0.0 112.331 -0.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.555 ' HD3' ' CH2' ' A' ' 100' ' ' TRP . 4.4 ptp85 -34.62 142.29 0.24 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.65 0.738 . . . . 0.0 110.854 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 145.47 57.38 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 98.1 m -77.11 116.43 57.36 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.595 0.712 . . . . 0.0 111.135 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 148.33 64.7 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.396 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -124.7 142.28 51.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.104 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.3 p -90.98 127.73 43.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.42 HG12 ' CA ' ' A' ' 72' ' ' ASP . 27.6 m -136.22 171.69 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -82.74 146.94 28.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -128.08 121.1 28.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -130.75 133.12 45.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.1 t -113.08 98.82 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -127.69 176.63 7.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.58 -47.73 84.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -45.93 -33.67 3.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 142.5 -129.49 3.87 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.469 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.4 mm -122.46 138.46 52.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 0.0 111.167 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.8 m -126.36 142.4 51.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.183 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.5 mt -144.02 132.51 22.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.5 m -130.65 137.09 49.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.42 ' CA ' HG12 ' A' ' 59' ' ' VAL . 30.3 t0 -113.25 -48.52 2.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.4 m120 63.61 25.08 14.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -106.16 -21.67 13.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 54.78 45.56 26.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -118.04 -48.2 2.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mt -112.19 -44.9 3.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.542 ' CG ' ' O ' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -165.79 106.6 0.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 78' ' ' PHE . 54.9 t80 -36.67 -60.31 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.414 ' HD3' ' C ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -173.9 147.16 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.846 -179.896 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -145.84 134.29 21.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -111.89 137.58 49.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -116.63 145.3 35.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.689 0.757 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -175.86 1.29 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.69 2.26 . . . . 0.0 112.364 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 13.7 p -92.36 -30.42 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.178 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 87' ' ' SER . 4.6 m-20 -69.15 -57.01 5.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 86' ' ' ASN . 94.9 p -35.99 -48.46 0.59 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.0 mt -59.36 129.16 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.138 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.4 p -132.91 -50.12 0.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -119.95 140.12 51.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.6 t -162.25 111.2 1.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.6 m -166.58 153.65 9.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.831 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.8 p -47.61 139.6 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.17 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -42.09 135.79 2.3 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.63 0.729 . . . . 0.0 110.856 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -6.6 18.98 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.322 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -95.34 -24.25 16.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 52.39 44.23 30.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -87.48 176.65 7.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -114.26 141.93 46.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.555 ' CH2' ' HD3' ' A' ' 53' ' ' ARG . 52.0 t-105 -108.02 102.61 11.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.9 m -69.62 92.53 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.16 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -48.65 156.13 0.91 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.642 0.734 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 0.08 6.19 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.742 2.295 . . . . 0.0 112.301 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -92.38 -43.48 9.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 134.25 41.01 0.16 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 29.3 p -146.53 164.79 31.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.895 0.378 . . . . 0.0 111.127 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.0 p -107.8 157.44 18.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 24.0 p -157.91 161.51 38.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -81.71 142.15 32.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 23.2 mt -98.77 126.46 51.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 129' ' ' PHE . 13.5 p90 -144.64 165.27 28.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 170.89 161.12 21.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -112.9 173.91 6.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 21.0 t -119.34 104.15 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.101 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -109.25 159.46 16.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.082 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -85.02 137.07 33.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.467 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 24.3 tttm -46.08 140.71 4.91 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.586 0.708 . . . . 0.0 110.878 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 54.0 Cg_endo -69.72 -14.34 36.06 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.728 2.285 . . . . 0.0 112.332 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -104.52 -34.4 3.6 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.518 ' HB3' ' CE2' ' A' ' 122' ' ' TRP . 74.5 m -131.71 121.12 17.95 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.64 0.733 . . . . 0.0 110.915 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.439 ' HD2' ' CZ3' ' A' ' 122' ' ' TRP . 53.7 Cg_endo -69.72 -28.11 25.83 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.71 2.273 . . . . 0.0 112.344 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . 0.518 ' CE2' ' HB3' ' A' ' 120' ' ' SER . 42.7 p90 -76.28 -22.96 54.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.507 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 21.9 mt-10 -96.8 116.87 29.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.432 ' ND2' ' CG2' ' A' ' 35' ' ' THR . 2.1 m-80 -98.92 139.43 34.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 93.0 t -125.76 115.54 43.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 12.7 p -80.16 130.45 35.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -105.84 108.95 20.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.422 ' CD2' HD12 ' A' ' 26' ' ' LEU . 8.2 tp -81.51 150.79 28.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.513 ' CD1' HG22 ' A' ' 23' ' ' VAL . 51.3 m-85 -151.88 171.12 18.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -145.16 145.0 31.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -53.91 119.92 5.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 7.3 tp -88.18 -52.22 5.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.431 ' CG ' ' HD2' ' A' ' 134' ' ' PRO . 5.7 t70 -111.45 140.17 22.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.614 0.721 . . . . 0.0 110.915 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . 0.431 ' HD2' ' CG ' ' A' ' 133' ' ' ASP . 53.9 Cg_endo -69.7 -25.55 28.76 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.06 -45.38 87.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -108.63 110.37 61.37 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.584 0.706 . . . . 0.0 110.911 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 151.73 68.81 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.659 2.239 . . . . 0.0 112.352 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -56.82 -39.1 73.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -55.39 -52.44 47.66 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.511 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -49.62 -36.07 23.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.79 0.329 . . . . 0.0 111.093 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 22.0 mt -70.84 -71.84 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 15.5 m -46.05 -45.1 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 98.4 m -58.6 -49.55 77.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -56.37 -44.59 80.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 93.9 mt -51.28 -62.88 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 58.9 p -59.02 -42.63 90.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.102 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -48.95 -43.74 40.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 91.8 t -91.3 -61.45 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.465 HD21 ' N ' ' A' ' 149' ' ' LEU . 4.1 mm? -48.89 -70.9 0.08 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 6.1 mp -62.49 -45.33 93.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -90.95 79.9 1.36 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.469 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -122.94 85.93 2.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.768 0.318 . . . . 0.0 110.904 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -96.1 93.47 6.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt 54.13 45.93 26.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 33.3 m -81.35 130.82 35.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.84 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 130.04 68.75 0.11 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.484 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -175.88 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.631 2.221 . . . . 0.0 112.298 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 32.9 p -54.91 158.72 2.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 16.5 m -125.61 155.53 40.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.7 t -109.88 -45.94 3.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.852 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.7 p 44.79 41.16 4.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.72 109.72 1.44 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.474 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.1 t -169.04 127.5 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 110.848 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.2 p -64.85 142.83 58.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.65 175.93 17.26 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.1 mmt -111.63 87.51 2.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.5 m -148.38 119.15 7.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 t -70.07 151.97 44.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.16 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.5 -39.91 24.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.07 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -45.25 -51.35 10.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.145 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.07 -58.74 6.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.2 mt -38.19 -55.83 1.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.12 -41.36 12.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.8 mmt-85 -52.33 -34.02 45.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -84.79 -74.89 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.94 140.63 3.32 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.53 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.12 119.7 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.782 0.325 . . . . 0.0 111.116 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -140.7 127.81 20.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.1 m -160.15 179.09 9.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 p -87.87 130.18 34.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.2 m -116.13 166.15 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.142 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.541 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 1.3 tm? -98.55 117.2 32.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.407 ' N ' HD13 ' A' ' 24' ' ' LEU . 68.1 t80 -88.83 116.75 27.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.1 mt -89.06 -69.5 0.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.9 t -174.4 173.69 2.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.147 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.6 p -135.99 128.11 29.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.804 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.3 t -111.3 132.52 59.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -59.6 116.14 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.403 HG21 ' CB ' ' A' ' 39' ' ' ALA . 61.7 p -114.28 42.84 2.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.148 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -42.42 -50.5 5.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 t -91.66 -30.07 16.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -75.23 136.98 40.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.2 t -153.73 170.47 20.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.12 -156.77 53.57 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.449 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 2.23 3.73 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.717 2.278 . . . . 0.0 112.341 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -88.06 -48.02 8.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.403 ' CB ' HG21 ' A' ' 31' ' ' THR . . . -52.16 -46.19 65.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.5 t -61.99 -23.92 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.83 -33.82 39.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.083 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 45' ' ' SER . 16.6 ttt85 -68.02 -60.1 2.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.31 -51.69 2.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 p -61.33 -32.82 72.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 49' ' ' SER . 5.5 t -62.29 -42.24 99.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.858 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.2 -30.35 54.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.093 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.74 -39.13 76.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.127 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mt -98.98 -34.44 10.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 45' ' ' SER . 45.2 t -65.37 -44.64 86.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 87.3 m -61.22 137.86 58.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.48 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 15.4 m -137.97 128.0 15.25 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.681 0.753 . . . . 0.0 110.852 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.48 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.8 Cg_endo -69.77 178.77 24.33 Favored 'Cis proline' 0 C--N 1.342 0.224 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.354 -0.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.7 mtt85 -83.8 150.26 58.69 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.623 0.725 . . . . 0.0 110.861 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 165.57 30.57 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.664 2.243 . . . . 0.0 112.337 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 93.8 m -105.45 118.63 55.17 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.578 0.704 . . . . 0.0 111.145 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 177.73 5.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.254 . . . . 0.0 112.339 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.36 141.02 18.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.1 m -80.91 131.12 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.1 m -144.33 -179.61 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -95.34 159.14 15.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -144.25 143.84 31.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -151.33 152.76 33.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.405 HG12 ' CE2' ' A' ' 144' ' ' PHE . 41.0 t -132.27 110.47 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.8 m -132.43 -175.94 3.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.3 -18.26 60.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.045 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -82.62 -19.24 38.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.08 -143.8 15.58 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.533 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.1 mt -116.15 129.85 71.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 111.133 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.1 m -113.4 123.96 51.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.3 mt -119.73 130.49 55.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 58.1 m -145.69 136.17 24.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.159 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 72' ' ' ASP . 0.6 OUTLIER -112.6 176.71 4.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.899 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.406 HD21 ' N ' ' A' ' 73' ' ' ASN . 1.9 m-80 -114.94 -17.02 11.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.51 -8.38 41.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 40.54 46.4 2.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.0 mmtm -80.48 -71.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.7 -40.74 63.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 81' ' ' ARG . 15.8 p90 -169.9 140.11 2.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -67.71 -66.99 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -123.99 146.17 48.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.462 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 18.6 ttm-85 -166.5 129.92 1.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -145.47 150.53 36.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -118.69 146.46 39.97 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.665 0.745 . . . . 0.0 110.924 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 147.75 63.62 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.679 2.253 . . . . 0.0 112.366 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 14.3 p -52.76 -32.35 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.158 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 87' ' ' SER . 30.6 t-20 -65.31 -63.77 1.02 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 86' ' ' ASN . 3.7 m -35.32 -47.5 0.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 50.2 mt -70.86 101.31 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.14 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 43.3 p -105.9 -22.46 12.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -140.76 150.09 42.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.0 t -171.13 114.86 0.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.8 p -167.76 155.15 8.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 28.7 p -46.34 159.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.115 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.414 ' CG ' ' HD2' ' A' ' 95' ' ' PRO . 7.9 t70 -65.23 139.63 97.61 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.589 0.709 . . . . 0.0 110.828 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.414 ' HD2' ' CG ' ' A' ' 94' ' ' ASP . 53.3 Cg_endo -69.77 -40.08 5.73 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 2.247 . . . . 0.0 112.313 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -55.62 -17.34 5.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.0 t0 49.48 33.42 5.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 70.2 mtt-85 -91.08 175.97 6.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.3 mmt85 -115.25 159.47 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 49.7 t-105 -110.16 112.9 25.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.2 m -70.7 95.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -49.1 156.12 1.02 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.601 0.715 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -0.15 6.52 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.703 2.269 . . . . 0.0 112.379 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -98.21 -31.28 12.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 126.3 28.28 1.02 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.44 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 75.0 p -129.45 171.99 11.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.854 0.359 . . . . 0.0 111.154 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.2 p -118.14 144.93 45.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.152 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.5 m -136.51 173.66 11.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -88.37 132.05 34.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 54.9 mt -90.76 138.38 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.415 ' O ' ' N ' ' A' ' 129' ' ' PHE . 8.0 p90 -157.99 166.94 31.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 176.18 -168.69 40.99 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -152.94 167.54 28.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.5 t -118.76 122.33 69.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.158 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -132.78 141.12 48.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.079 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 46.6 mttm -67.62 145.03 55.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.46 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 43.2 tttt -69.21 140.4 90.6 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.554 0.693 . . . . 0.0 110.934 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 54.0 Cg_endo -69.81 -24.93 28.91 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.669 2.246 . . . . 0.0 112.336 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -103.03 -29.38 5.8 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.466 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.474 ' HB3' ' CG ' ' A' ' 123' ' ' GLU . 59.1 m -120.76 82.53 34.78 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.645 0.735 . . . . 0.0 110.881 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -1.13 7.93 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.703 2.269 . . . . 0.0 112.379 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . 0.416 ' CD1' ' HG2' ' A' ' 123' ' ' GLU . 15.6 p90 -98.13 7.18 46.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.474 ' CG ' ' HB3' ' A' ' 120' ' ' SER . 0.5 OUTLIER -149.2 134.95 18.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -93.81 150.83 20.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 41.8 t -134.85 133.16 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.9 t -109.7 141.72 41.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -113.97 112.58 23.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 10.6 tp -75.14 148.79 39.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 111' ' ' PHE . 36.5 m-85 -151.6 172.02 16.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -149.99 159.17 44.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.063 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -61.59 130.63 46.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 10.3 tt -113.64 -48.21 2.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.425 ' CG ' ' HD2' ' A' ' 134' ' ' PRO . 4.4 t70 -110.79 141.08 23.37 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.547 0.689 . . . . 0.0 110.91 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . 0.425 ' HD2' ' CG ' ' A' ' 133' ' ' ASP . 53.8 Cg_endo -69.72 -38.5 7.79 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.248 . . . . 0.0 112.375 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -43.99 -49.41 8.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -116.83 109.23 43.4 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.569 0.7 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 164.72 33.53 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.674 2.249 . . . . 0.0 112.327 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.12 -32.61 74.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -66.59 -40.21 94.08 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.79 -29.62 66.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.75 0.31 . . . . 0.0 111.109 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 82.9 mt -73.63 -71.13 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.156 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 2.3 m -43.9 -49.13 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 86.3 m -51.73 -66.49 0.38 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.195 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' PHE . . . . . 0.405 ' CE2' HG12 ' A' ' 63' ' ' VAL . 12.6 t80 -39.56 -48.25 2.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 27.0 mt -54.52 -64.56 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 45.1 p -53.67 -17.51 2.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.167 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -86.93 -43.55 12.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 42.9 t -94.84 -65.89 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 149' ' ' LEU . 4.4 mm? -46.43 -46.75 18.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.95 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 5.0 mp -90.13 -8.41 51.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 153' ' ' ARG . . . -70.03 -48.78 38.1 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.511 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 39.73 26.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.819 0.342 . . . . 0.0 110.912 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 151' ' ' GLY . 20.7 mmt180 -67.72 -174.76 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.94 134.95 55.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 43.0 t -175.47 132.13 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.843 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 91.24 92.59 1.33 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.89 170.59 16.37 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.704 2.269 . . . . 0.0 112.307 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 8.0 m -79.81 89.22 5.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 57.3 p -166.48 138.08 3.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.533 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.7 p 39.6 43.21 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.854 0.359 . . . . 0.0 110.83 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 t -156.52 111.01 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.95 169.89 13.68 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 t -168.91 140.68 2.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.897 0.38 . . . . 0.0 110.829 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -59.7 -57.52 12.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.9 35.82 92.36 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.497 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.2 mtt 42.37 35.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.766 0.317 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -131.1 139.71 49.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -159.87 166.94 29.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.23 -24.91 67.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -43.6 -34.97 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.088 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -89.29 -48.18 7.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 mp -42.73 -35.08 1.03 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.8 mt -79.41 -47.09 16.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.8 mtt-85 -52.93 -28.43 23.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -72.26 -67.81 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.36 131.26 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.18 122.68 41.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.788 0.328 . . . . 0.0 111.093 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.2 126.32 18.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.2 m -161.16 175.71 12.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.7 m -90.34 126.64 35.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.8 m -111.15 177.01 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.503 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 2.0 tm? -106.14 114.1 28.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -80.38 108.21 13.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.452 HD23 ' CG ' ' A' ' 100' ' ' TRP . 36.4 mt -78.47 -70.7 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.4 t -174.49 165.45 3.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.0 p -129.12 131.2 47.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.7 t -119.87 151.56 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.068 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -71.78 126.86 30.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 32' ' ' GLU . 34.7 p -122.29 38.51 4.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.156 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 31' ' ' THR . 3.4 pt-20 -36.92 -60.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.46 -18.68 26.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.444 ' CD1' ' HB3' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -79.98 141.82 35.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.9 t -161.03 173.3 15.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.84 -144.23 46.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.483 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -7.66 21.61 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.711 2.274 . . . . 0.0 112.321 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.444 ' HB3' ' CD1' ' A' ' 34' ' ' LEU . 34.4 mt-30 -79.47 -59.37 2.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -45.01 -33.14 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.2 t -78.88 -29.94 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 38' ' ' GLN . . . -80.86 -17.14 51.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 -80.88 -62.9 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.14 -47.45 9.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.6 m -51.89 -41.23 61.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.4 m -66.49 -42.93 86.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.55 -14.12 60.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.082 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.11 -31.29 27.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.2 mt -94.22 -40.32 10.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 50' ' ' CYS . 29.1 t -65.51 -51.96 56.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 49' ' ' SER . 2.8 t -35.49 151.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.478 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 1.7 t -162.1 126.63 2.03 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.661 0.743 . . . . 0.0 110.877 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.478 ' C ' ' HA ' ' A' ' 51' ' ' SER . 54.1 Cg_endo -69.75 142.37 69.86 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.715 -1.785 . . . . 0.0 112.337 -0.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -42.5 151.62 0.37 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.63 0.729 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 145.64 57.91 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.629 2.22 . . . . 0.0 112.37 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.3 m -90.71 111.18 46.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.591 0.71 . . . . 0.0 111.131 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 170.68 16.0 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.677 2.251 . . . . 0.0 112.332 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.47 153.18 33.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.5 m -81.11 133.35 29.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.542 HG13 ' CE1' ' A' ' 78' ' ' PHE . 35.7 m -143.55 -176.35 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.196 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 -100.45 156.87 17.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -145.15 115.9 7.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -123.78 138.87 54.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 64.1 t -117.62 101.85 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 m -125.65 -179.47 4.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.89 -22.81 52.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.08 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -75.85 -16.21 60.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.59 -140.72 11.99 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.452 HG12 ' CD1' ' A' ' 88' ' ' ILE . 9.2 mm -118.08 130.44 72.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.863 0.363 . . . . 0.0 111.136 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.3 m -119.01 118.38 31.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.19 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -113.92 150.31 33.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 45.1 m -145.53 155.41 43.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -138.97 145.08 39.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -96.57 -38.16 10.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 75' ' ' ARG . 53.1 mm-40 -83.51 1.37 42.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 74' ' ' GLN . 55.6 mtt180 34.61 40.69 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.5 mmtm -62.17 -65.83 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -96.92 -51.85 4.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.542 ' CE1' HG13 ' A' ' 59' ' ' VAL . 42.6 p90 -132.16 148.75 52.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -93.05 -68.93 0.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -132.81 120.13 21.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -132.1 147.43 52.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -157.91 123.23 4.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -113.02 147.16 36.66 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.685 0.755 . . . . 0.0 110.943 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -173.65 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.313 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.8 p -96.39 -12.36 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.108 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -83.89 -18.57 37.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 53.6 p -77.29 -59.61 2.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.452 ' CD1' HG12 ' A' ' 68' ' ' ILE . 22.1 mt -56.59 129.4 18.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 52.7 p -126.82 -28.86 2.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -133.9 150.59 51.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.8 t -172.35 115.08 0.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.842 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.9 t -168.32 147.18 4.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.5 p -40.24 161.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.469 ' OD2' ' N ' ' A' ' 97' ' ' ASP . 15.6 t70 -58.19 133.92 84.46 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.665 0.745 . . . . 0.0 110.822 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.406 ' CG ' ' HB3' ' A' ' 41' ' ' ALA . 53.5 Cg_endo -69.82 -32.35 18.49 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.317 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 43.8 mm-40 -81.67 -11.23 59.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.469 ' N ' ' OD2' ' A' ' 94' ' ' ASP . 1.3 m-20 54.76 28.42 10.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -72.93 153.14 41.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -104.9 160.81 14.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.452 ' CG ' HD23 ' A' ' 26' ' ' LEU . 52.0 t-105 -124.3 120.71 32.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 60.7 m -80.57 94.88 6.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.108 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -46.75 159.49 0.37 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.657 0.742 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -4.94 15.07 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.659 2.24 . . . . 0.0 112.299 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -89.11 -33.19 17.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 122.91 52.27 0.21 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.475 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.0 t -163.9 151.58 12.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.359 . . . . 0.0 111.143 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 39.9 p -89.54 152.38 21.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.7 p -143.35 152.09 41.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.422 ' HD3' ' N ' ' A' ' 110' ' ' ILE . 5.0 tmtm? -70.4 132.41 45.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.422 ' N ' ' HD3' ' A' ' 109' ' ' LYS . 96.5 mt -91.21 140.19 16.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.527 ' CD1' ' HB3' ' A' ' 138' ' ' ALA . 3.9 p90 -161.47 164.56 29.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 177.06 -169.79 42.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.541 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -153.92 158.26 40.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.916 0.388 . . . . 0.0 110.871 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.0 t -102.46 126.14 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -131.73 148.56 52.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.107 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -78.44 136.75 37.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.467 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 64.3 tttt -56.88 139.79 77.4 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.606 0.717 . . . . 0.0 110.858 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 54.3 Cg_endo -69.76 -19.08 36.61 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.734 2.29 . . . . 0.0 112.355 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -110.59 -23.94 5.77 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.506 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.481 ' HB3' ' CG ' ' A' ' 123' ' ' GLU . 62.5 m -121.26 81.54 37.49 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.671 0.748 . . . . 0.0 110.875 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.451 ' HD2' ' CZ3' ' A' ' 122' ' ' TRP . 53.0 Cg_endo -69.84 -1.98 9.46 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.688 2.259 . . . . 0.0 112.313 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . 0.497 ' CD1' ' HG2' ' A' ' 123' ' ' GLU . 36.1 p90 -91.39 -17.21 26.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.497 ' HG2' ' CD1' ' A' ' 122' ' ' TRP . 0.8 OUTLIER -122.6 179.05 4.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -136.42 153.93 50.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.4 t -140.04 140.82 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 26.0 p -102.55 158.01 16.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -133.94 101.47 5.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.573 ' O ' ' CD1' ' A' ' 129' ' ' PHE . 10.9 tp -71.79 151.8 43.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 128' ' ' LEU . 27.0 m-85 -153.97 165.45 36.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -135.32 139.75 44.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.435 ' O ' ' CD ' ' A' ' 131' ' ' GLU . 2.1 pp20? -54.02 108.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 9.5 tt -79.06 -51.68 9.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -88.42 128.12 54.28 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.58 0.705 . . . . 0.0 110.833 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -35.63 12.1 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.653 2.235 . . . . 0.0 112.337 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -55.25 -28.56 54.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . 0.461 ' O ' ' CG ' ' A' ' 136' ' ' GLN . 8.2 pt20 -129.46 118.49 19.05 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.634 0.73 . . . . 0.0 110.882 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 149.41 66.65 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.648 2.232 . . . . 0.0 112.321 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.527 ' HB3' ' CD1' ' A' ' 111' ' ' PHE . . . -47.64 -28.06 2.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.123 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -66.89 -39.24 93.35 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -59.29 -14.28 10.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.748 0.309 . . . . 0.0 111.106 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 89.8 mt -89.15 -55.15 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 2.6 m -62.53 -32.98 57.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 54.6 m -61.23 -49.11 78.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.186 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' PHE . . . . . 0.5 ' CE1' HG21 ' A' ' 148' ' ' VAL . 11.3 t80 -60.95 -34.14 74.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 149' ' ' LEU . 64.5 mt -61.37 -66.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 54.0 p -52.85 -28.11 21.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -71.49 -42.67 67.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.5 HG21 ' CE1' ' A' ' 144' ' ' PHE . 33.2 t -93.64 -60.57 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 145' ' ' ILE . 1.1 mm? -53.05 -65.83 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 6.2 mp -75.01 4.98 5.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -120.89 91.47 0.48 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.427 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -117.11 107.37 14.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.731 0.3 . . . . 0.0 110.953 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 66.27 36.34 5.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 17.3 tptp -134.17 109.74 9.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 52.3 m -91.47 164.23 13.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.835 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -171.03 -176.43 40.22 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.51 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 126.27 13.1 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.652 2.235 . . . . 0.0 112.326 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 4.7 m -132.93 -55.54 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 25.4 m -133.28 138.64 46.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.501 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t 70.84 42.24 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 0.0 110.838 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.5 p -144.6 132.42 21.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.38 52.89 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.9 t -79.0 90.92 4.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.882 0.372 . . . . 0.0 110.887 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 t -101.63 124.0 46.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.42 -67.65 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.467 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -119.69 155.86 31.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.771 0.319 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.0 t -112.44 -60.16 1.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 11' ' ' ALA . 58.8 p 37.09 45.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 10' ' ' THR . . . -35.03 -38.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.108 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.92 -54.58 27.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -41.88 -63.27 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.475 HD13 ' N ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -52.32 -59.06 4.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.959 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 14' ' ' LEU . 84.1 mt -36.14 -53.02 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -48.18 -47.03 35.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 14' ' ' LEU . 11.9 mm100 -74.8 -62.91 1.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.36 145.33 0.39 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.451 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.22 122.07 36.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.821 0.343 . . . . 0.0 111.077 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.94 125.88 25.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.414 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 29.7 p -156.45 168.43 27.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.3 m -85.15 131.83 34.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.2 m -113.92 173.38 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.119 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.504 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 1.5 tm? -105.29 109.75 21.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -80.95 110.56 16.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.523 HD21 ' CD1' ' A' ' 100' ' ' TRP . 74.1 mt -80.07 -70.9 0.48 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.2 t -175.05 142.89 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 t -101.93 116.99 33.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.4 t -101.42 138.63 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.13 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -64.07 119.48 10.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.402 ' CG2' ' SG ' ' A' ' 126' ' ' CYS . 56.1 p -115.79 42.51 2.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.134 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -51.81 -47.02 64.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.3 t -87.93 -26.44 22.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.833 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mt -87.35 164.92 15.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.8 t -175.1 164.02 3.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.02 -133.27 36.86 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.481 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -46.14 1.33 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.661 2.241 . . . . 0.0 112.318 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 41' ' ' ALA . 1.0 OUTLIER -46.09 -66.41 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.917 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 38' ' ' GLN . . . -36.19 -45.63 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.2 t -59.31 -41.35 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 38' ' ' GLN . . . -66.14 -47.9 72.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.5 ttt85 -48.68 -55.51 11.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.827 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.45 -56.09 5.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 p -61.16 -59.37 5.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -43.09 -39.66 2.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.0 -36.63 59.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.111 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.21 -36.93 66.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.459 ' N ' HD11 ' A' ' 48' ' ' LEU . 3.8 mp -95.72 -36.56 11.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 49.9 m -63.99 -53.23 53.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -73.85 146.8 43.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.522 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 21.7 p -147.73 153.95 43.54 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.678 0.751 . . . . 0.0 110.867 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.2 Cg_endo -69.71 162.9 83.04 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.344 -0.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.3 mtt85 -59.42 141.67 87.58 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.543 0.687 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 156.31 63.71 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.663 2.242 . . . . 0.0 112.358 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 48.2 m -94.46 112.69 58.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.595 0.712 . . . . 0.0 111.135 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 166.22 28.33 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.711 2.274 . . . . 0.0 112.306 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -137.41 144.88 42.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 75.6 t -82.1 125.35 39.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 10.5 m -141.75 159.33 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -77.5 169.17 18.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.414 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 6.3 t80 -144.18 134.93 25.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.7 tptt -145.71 136.47 24.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.7 t -124.1 116.82 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.2 m -141.27 -175.83 4.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.7 -44.3 97.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.065 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -59.41 -20.29 53.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 133.12 -125.52 4.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.462 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 95.2 mt -130.51 137.58 55.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.914 0.388 . . . . 0.0 111.107 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.436 HG21 ' N ' ' A' ' 70' ' ' LEU . 31.8 m -116.1 142.09 47.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.436 ' N ' HG21 ' A' ' 69' ' ' THR . 9.4 mt -139.06 147.49 42.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.952 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.1 m -145.28 117.24 8.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -110.94 137.91 47.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -80.83 -52.47 7.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 76' ' ' LYS . 23.2 mm-40 -73.53 -22.82 59.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 74' ' ' GLN . 43.2 ptt85 36.05 33.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 74' ' ' GLN . 28.4 mttm -56.23 -37.68 70.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -102.13 -38.88 7.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -166.63 154.58 9.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.569 ' CD2' ' HG3' ' A' ' 80' ' ' ARG . 32.7 t80 -101.73 169.55 8.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.84 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.569 ' HG3' ' CD2' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -34.53 134.4 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -144.86 124.81 13.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -100.81 120.07 39.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -108.43 141.39 23.13 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.715 0.769 . . . . 0.0 110.92 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 156.26 63.89 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.1 p -61.63 -26.93 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.172 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 87' ' ' SER . 2.4 t30 -63.91 -63.4 1.17 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 86' ' ' ASN . 59.7 m -36.55 -52.2 0.86 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.1 mt -62.94 93.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 70.5 p -102.19 -42.38 6.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -128.59 139.38 52.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.404 ' HB2' ' CB ' ' A' ' 113' ' ' PHE . 15.9 t -160.22 105.84 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.832 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.9 t -155.97 153.64 29.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.819 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.9 p -46.04 165.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.13 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -67.73 139.45 93.71 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.595 0.712 . . . . 0.0 110.874 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -29.57 23.34 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.626 2.217 . . . . 0.0 112.366 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -75.92 -24.82 55.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 42.0 t0 56.33 44.7 24.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -89.29 170.98 10.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.7 mmt85 -111.22 136.06 50.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.523 ' CD1' HD21 ' A' ' 26' ' ' LEU . 41.6 t-105 -98.48 104.55 16.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.8 m -70.36 95.77 1.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.16 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 -47.16 161.22 0.31 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.609 0.719 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 2.56 3.44 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.357 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -102.14 -29.53 11.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 122.76 18.18 3.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.516 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.7 p -115.4 155.89 26.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.909 0.385 . . . . 0.0 111.103 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 32.8 p -106.26 155.0 19.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.4 m -152.24 175.21 12.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -89.32 138.74 31.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 86.0 mt -95.58 132.32 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.42 ' O ' ' N ' ' A' ' 129' ' ' PHE . 4.5 p90 -154.54 168.36 26.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 168.62 157.27 11.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.404 ' CB ' ' HB2' ' A' ' 91' ' ' SER . 8.8 p90 -114.04 168.91 9.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 0.0 110.873 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 17.0 t -118.38 117.48 54.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.56 149.09 43.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -73.07 153.7 40.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 46.1 tttt -73.75 133.75 79.25 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.528 0.68 . . . . 0.0 110.918 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -16.36 37.38 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.653 2.235 . . . . 0.0 112.359 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -104.0 -20.94 9.96 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.472 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.3 m -138.16 106.34 7.98 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 0.0 110.822 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -5.24 15.77 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.29 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . 0.518 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 29.5 p90 -110.96 17.08 20.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.518 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 35.4 mt-10 -139.22 115.66 10.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.28 146.73 23.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 95.4 t -134.26 125.8 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.402 ' SG ' ' CG2' ' A' ' 31' ' ' THR . 20.7 p -93.82 142.92 26.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -115.29 103.48 10.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 9.3 tp -67.89 152.61 45.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.42 ' N ' ' O ' ' A' ' 111' ' ' PHE . 36.7 m-85 -158.36 174.26 15.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -155.08 139.16 16.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.413 ' O ' ' CD ' ' A' ' 131' ' ' GLU . 2.2 pp20? -52.28 117.83 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.9 tt -91.52 -58.77 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -86.69 130.84 47.39 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.624 0.725 . . . . 0.0 110.852 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -12.25 32.59 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.36 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 136' ' ' GLN . 5.5 p-10 -73.8 -21.29 60.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . 0.476 ' N ' ' OD1' ' A' ' 135' ' ' ASP . 21.5 mm-40 -140.81 104.92 6.28 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.589 0.709 . . . . 0.0 110.941 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 144.1 53.32 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.66 2.24 . . . . 0.0 112.408 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -39.4 -49.48 2.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.1 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -45.69 -58.55 5.34 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.468 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -45.79 -39.01 7.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 67.3 mt -67.59 -69.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.4 m -43.61 -46.23 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 30.6 m -59.35 -51.5 69.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.162 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -53.7 -36.82 62.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 92.0 mt -62.82 -73.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.091 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 73.1 p -49.05 -32.38 9.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -55.2 -50.93 68.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.444 ' CG1' ' N ' ' A' ' 149' ' ' LEU . 9.1 p -94.96 -53.2 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.444 ' N ' ' CG1' ' A' ' 148' ' ' VAL . 3.9 mm? -51.72 -70.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.79 -42.39 97.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 47.79 92.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.471 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -44.85 -60.48 2.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.783 0.325 . . . . 0.0 110.934 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 17.3 mtm180 -41.99 -53.27 3.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -48.18 118.98 2.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 43.1 m -109.56 96.18 6.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 46.11 77.68 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.515 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 158' ' ' SER . 53.3 Cg_endo -69.81 -17.41 37.35 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.681 2.254 . . . . 0.0 112.34 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 157' ' ' PRO . 47.4 t 37.09 42.17 0.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 32.7 t -123.35 129.74 51.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.945 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 m 44.2 42.35 4.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.376 . . . . 0.0 110.893 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.2 p -111.38 171.68 7.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.57 80.18 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.543 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -106.33 138.0 43.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.9 p -154.43 122.11 5.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.55 157.41 15.54 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.445 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -174.56 172.47 3.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.803 0.335 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 m -97.47 165.97 11.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.98 138.7 54.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.25 -27.77 48.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -42.52 -51.01 5.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.05 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 14' ' ' LEU . 52.3 t0 -70.78 -61.55 1.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 13' ' ' ASP . 0.6 OUTLIER -36.36 -41.92 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 mt -57.33 -64.52 0.86 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -32.28 58.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.46 ' HG2' ' N ' ' A' ' 18' ' ' GLY . 52.9 tt0 -64.91 163.51 14.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.46 ' N ' ' HG2' ' A' ' 17' ' ' GLN . . . -159.96 132.56 3.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.473 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.01 120.03 37.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.04 120.9 18.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.1 t -159.54 177.33 11.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.0 m -88.34 129.16 35.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.2 m -115.06 179.45 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -111.69 123.91 51.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -95.11 116.64 28.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.484 HD22 ' CD2' ' A' ' 100' ' ' TRP . 19.9 mt -85.91 -71.11 0.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.3 t -174.19 150.77 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.2 p -115.15 114.39 25.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.9 t -98.98 123.87 51.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.185 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -53.0 129.15 29.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.461 ' CG2' ' HB1' ' A' ' 39' ' ' ALA . 16.1 p -119.53 36.32 4.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.094 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 31' ' ' THR . 12.2 pt-20 -35.66 -49.71 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.5 t -93.71 -27.57 16.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -76.69 139.97 40.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.4 p -151.15 166.53 30.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.79 -154.11 52.99 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.513 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -9.98 27.42 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.692 2.262 . . . . 0.0 112.319 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -79.07 -36.15 41.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.461 ' HB1' ' CG2' ' A' ' 31' ' ' THR . . . -64.73 -26.16 68.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.075 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.5 t -79.2 -40.88 22.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.66 -49.04 76.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.093 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -46.89 -60.14 2.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.36 -53.61 2.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.075 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m -45.77 -63.67 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.86 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 m -47.03 -43.36 19.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.79 -28.04 68.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.084 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.86 -54.62 17.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.072 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.4 mp -75.17 -32.11 61.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.9 t -64.89 -39.06 92.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 23.6 t -60.5 139.14 57.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.501 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 3.1 m -146.82 128.74 7.53 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.696 0.76 . . . . 0.0 110.887 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.6 Cg_endo -69.78 143.5 74.08 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.36 0.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 52' ' ' PRO . 23.3 ptt85 -34.45 151.08 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.562 0.696 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 149.9 67.37 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.311 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 37.4 m -95.04 104.96 16.54 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.613 0.721 . . . . 0.0 111.158 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 173.27 11.2 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.367 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.84 156.54 42.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.2 m -91.14 129.0 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.7 m -144.27 152.22 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -75.67 148.15 38.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.496 ' CZ ' HG22 ' A' ' 68' ' ' ILE . 10.6 t80 -136.01 143.4 44.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -145.46 150.41 36.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.7 t -119.97 115.49 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.7 m -134.64 171.37 14.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.32 -33.19 75.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.142 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -66.8 -11.42 55.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 131.68 -126.92 4.85 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.476 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.496 HG22 ' CZ ' ' A' ' 61' ' ' PHE . 96.5 mt -130.22 130.11 65.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.917 0.389 . . . . 0.0 111.132 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.5 m -111.26 136.63 50.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 55.6 mt -128.05 141.81 51.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 32.2 m -134.05 125.56 28.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -115.5 134.04 55.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -99.57 -30.67 12.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.424 ' O ' ' C ' ' A' ' 75' ' ' ARG . 37.1 mm-40 -78.74 -4.75 50.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 74' ' ' GLN . 68.6 mtp180 35.03 39.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -79.02 -50.39 11.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -98.39 -43.52 6.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -168.63 120.71 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -45.46 -69.13 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.848 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -143.67 156.75 44.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -163.96 130.93 3.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.845 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 37.6 t-80 -114.45 138.66 50.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -124.04 143.2 41.78 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.715 0.769 . . . . 0.0 110.911 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 172.2 13.12 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.713 2.275 . . . . 0.0 112.298 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.6 p -87.75 -21.09 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -74.11 -37.18 64.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.5 p -57.47 -51.6 68.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 50.6 mt -61.3 97.78 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.19 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 71.9 p -101.7 -10.04 20.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -157.54 147.68 20.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.8 t -172.8 110.12 0.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.85 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.1 t -161.16 146.61 14.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.821 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -41.42 151.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.113 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -60.13 132.92 90.14 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.593 0.711 . . . . 0.0 110.845 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -43.78 2.46 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.678 2.252 . . . . 0.0 112.369 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -50.58 -19.95 1.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.2 t70 54.27 30.84 13.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -78.43 159.74 28.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 58.1 mmt-85 -107.73 153.19 23.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.484 ' CD2' HD22 ' A' ' 26' ' ' LEU . 64.1 t-105 -113.27 111.2 21.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.8 m -77.91 94.21 4.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.161 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -48.19 157.87 0.63 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.683 0.754 . . . . 0.0 110.835 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -2.82 10.83 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.711 2.274 . . . . 0.0 112.314 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -94.2 -39.02 10.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.873 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 129.81 45.32 0.17 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.522 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.7 p -146.55 152.45 38.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 111.15 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 72.4 p -102.8 150.78 23.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.3 m -151.47 166.03 32.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -83.24 151.32 25.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 62.9 mt -106.23 138.97 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.157 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.543 ' CD1' ' HB2' ' A' ' 138' ' ' ALA . 7.1 p90 -156.28 164.62 38.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -179.25 -161.21 26.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.48 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 1.5 p90 -154.97 164.05 39.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 110.864 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 1.7 t -114.65 127.18 72.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.123 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -143.06 152.13 41.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 19.2 mttm -64.96 125.36 24.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.472 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 10.7 ttmm -40.99 139.98 1.15 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.579 0.704 . . . . 0.0 110.907 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 54.0 Cg_endo -69.78 -15.83 37.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.7 2.267 . . . . 0.0 112.358 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -107.01 -13.94 20.26 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.495 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.408 ' HA ' ' HD2' ' A' ' 121' ' ' PRO . 6.6 m -149.11 105.05 3.36 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.698 0.761 . . . . 0.0 110.806 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 120' ' ' SER . 53.4 Cg_endo -69.83 -21.4 33.24 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.294 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . 0.503 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 33.0 p90 -84.31 18.75 2.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.934 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.503 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 36.2 mt-10 -141.24 169.81 16.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -137.73 143.55 41.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 2.4 p -150.62 112.21 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.126 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 48.9 t -82.61 138.69 34.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -106.1 109.12 20.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.3 tp -70.39 148.11 48.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.955 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' A' ' 111' ' ' PHE . 15.6 m-85 -147.24 173.08 12.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -145.58 156.1 43.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -64.93 129.11 38.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.3 tt -107.71 -45.09 4.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.68 141.54 26.88 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.616 0.722 . . . . 0.0 110.854 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -50.88 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.725 2.283 . . . . 0.0 112.379 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -42.59 -32.35 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -130.85 90.49 39.73 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.587 0.708 . . . . 0.0 110.858 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 177.54 5.47 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.696 2.264 . . . . 0.0 112.314 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.543 ' HB2' ' CD1' ' A' ' 111' ' ' PHE . . . -70.83 -48.84 51.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -51.83 -32.31 33.2 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -68.19 -26.99 66.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.723 0.296 . . . . 0.0 111.086 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 142' ' ' VAL . 58.1 mt -82.74 -73.62 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.169 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 141' ' ' ILE . 9.9 m -37.6 -40.14 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 5.8 m -56.25 -70.39 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' PHE . . . . . 0.536 ' CE1' ' CG2' ' A' ' 148' ' ' VAL . 11.7 t80 -42.96 -36.01 1.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 54.5 mt -63.6 -67.26 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 6.1 p -51.65 -30.5 21.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -71.01 -48.52 52.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.536 ' CG2' ' CE1' ' A' ' 144' ' ' PHE . 67.4 t -88.46 -69.37 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -44.23 -64.37 0.69 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 12.1 mt -81.67 43.08 0.73 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -177.69 108.67 0.26 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 64.89 47.49 2.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.786 0.327 . . . . 0.0 110.927 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.28 161.09 3.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -128.87 82.76 2.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 2.4 t -38.54 -48.04 1.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 94.53 149.07 25.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.515 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 139.87 41.28 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.262 . . . . 0.0 112.345 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 57.8 p -65.26 157.12 29.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 33.7 t -106.52 92.71 4.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.505 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t -166.25 130.18 2.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.906 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 m -144.7 157.88 44.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.823 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.9 79.96 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.445 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.3 p -100.64 110.27 22.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.863 0.363 . . . . 0.0 110.868 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.2 m -143.44 137.89 28.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.24 -148.69 4.92 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.0 tpt -80.21 122.09 26.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.754 0.311 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.1 p -166.16 171.54 12.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.8 p -91.74 82.76 5.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.124 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.74 -49.01 64.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.132 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -42.46 -56.62 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -47.34 -44.93 24.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.8 mt -62.83 -40.01 96.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.0 mt -67.57 -46.67 72.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -42.71 -40.33 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -52.27 -63.73 1.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.9 119.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.23 120.53 30.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.88 118.79 8.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.454 ' HB2' ' NE2' ' A' ' 136' ' ' GLN . 2.1 t -157.8 178.22 10.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 74.8 m -86.54 137.41 32.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.7 m -123.49 -177.05 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.177 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.431 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 3.0 tm? -113.89 114.84 26.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.539 ' HA ' ' CD2' ' A' ' 129' ' ' PHE . 15.2 t80 -85.66 115.52 23.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.522 HD21 ' CE2' ' A' ' 100' ' ' TRP . 75.2 mt -82.17 -70.54 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.6 t -172.22 137.26 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.1 m -95.89 113.88 25.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.9 t -100.66 138.02 26.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.153 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -69.73 116.05 9.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 32' ' ' GLU . 66.5 p -111.98 36.98 3.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.142 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 31' ' ' THR . 5.1 pt-20 -35.46 -49.43 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -92.03 -41.04 10.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -65.54 136.95 57.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -156.58 161.99 39.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.92 -154.6 43.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.494 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 53.3 Cg_endo -69.78 -1.86 9.21 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.301 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -88.94 -45.9 9.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -49.92 -46.02 51.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.0 t -53.0 -39.71 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.88 -57.99 8.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.2 ttt85 -39.85 -58.8 1.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.42 -45.01 65.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.075 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 m -66.78 -67.64 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.458 ' O ' ' CB ' ' A' ' 49' ' ' SER . 2.0 m -41.89 -36.15 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.61 -39.68 51.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.53 -34.7 59.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.087 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 mt -99.24 -36.69 9.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 45' ' ' SER . 30.8 t -63.87 -53.17 54.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -70.8 147.74 48.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.537 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 38.8 p -153.68 153.3 28.72 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.67 0.747 . . . . 0.0 110.859 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.1 Cg_endo -69.76 133.6 26.27 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.326 -0.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.2 ptp85 -41.78 148.88 0.43 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.621 0.724 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 171.71 14.02 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.708 2.272 . . . . 0.0 112.309 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 98.2 m -103.82 116.0 62.47 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.556 0.693 . . . . 0.0 111.162 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 -179.77 3.18 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.654 2.236 . . . . 0.0 112.322 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -157.55 152.17 25.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.427 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 90.4 t -91.39 114.67 29.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.7 m -127.03 174.16 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -93.08 141.12 28.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -122.74 138.81 54.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -150.1 150.42 31.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 71.7 t -136.21 118.16 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 67' ' ' GLY . 5.6 t -138.95 159.4 42.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -42.67 -25.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -84.63 23.32 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 64' ' ' SER . . . 92.04 -135.44 12.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.488 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.514 HD12 ' CE2' ' A' ' 113' ' ' PHE . 87.3 mt -119.63 146.25 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 111.152 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.8 m -130.39 120.07 23.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.197 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 35.4 mt -112.28 128.92 56.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.448 HG23 ' N ' ' A' ' 72' ' ' ASP . 23.0 m -117.03 154.28 31.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 79' ' ' PHE . 10.0 t0 -138.12 148.98 45.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -111.34 -43.15 3.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.427 ' NE2' ' O ' ' A' ' 58' ' ' VAL . 0.8 OUTLIER -72.52 -10.75 60.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 74' ' ' GLN . 71.5 mtt180 36.32 47.28 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 47.3 mmtt -80.91 -41.37 23.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 mt -118.36 -38.57 3.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.439 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 26.8 p90 -158.8 139.25 12.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 72' ' ' ASP . 10.7 t80 -75.49 -73.17 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -142.34 126.86 17.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.853 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.4 mmt85 -121.76 125.96 47.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -116.35 128.4 55.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -118.82 141.4 29.99 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.668 0.747 . . . . 0.0 110.924 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 157.35 60.66 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.701 2.268 . . . . 0.0 112.318 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.5 p -61.34 -25.85 37.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.168 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -73.66 -45.06 54.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.5 m -45.52 -55.36 6.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.806 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 15.8 mt -63.06 112.04 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 76.5 p -100.85 -41.44 6.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 37' ' ' PRO . 39.9 t80 -133.02 157.38 45.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.1 t -153.23 112.44 3.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.9 t -152.81 143.89 23.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.471 ' CG2' ' HB2' ' A' ' 111' ' ' PHE . 35.2 p -57.32 -79.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -150.15 120.46 3.86 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.587 0.708 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -22.69 31.78 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.716 2.277 . . . . 0.0 112.358 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -91.11 -31.42 16.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 30.2 t0 73.92 54.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.3 mmp_? -109.14 168.41 9.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -103.65 150.79 23.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.522 ' CE2' HD21 ' A' ' 26' ' ' LEU . 35.2 t-105 -102.83 109.58 21.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.2 m -78.49 91.5 4.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.178 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -49.86 157.24 1.09 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.611 0.72 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -7.42 21.0 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.679 2.253 . . . . 0.0 112.361 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -84.72 -34.56 22.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 123.98 39.04 0.51 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.536 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.0 t -143.7 161.45 38.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.841 0.353 . . . . 0.0 111.169 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.7 p -105.41 145.88 30.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 86.3 p -139.42 172.16 13.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -86.05 130.46 34.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 27.8 mt -85.98 137.36 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.571 ' CE2' HD13 ' A' ' 141' ' ' ILE . 1.2 p90 -164.07 149.52 10.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -170.52 -170.67 35.08 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.514 ' CE2' HD12 ' A' ' 68' ' ' ILE . 4.0 p90 -147.55 172.48 13.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.902 0.382 . . . . 0.0 110.859 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 12.8 t -119.54 132.0 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.154 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -144.48 143.69 30.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -74.28 151.05 39.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.47 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 35.2 tttt -66.29 139.69 96.46 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.618 0.723 . . . . 0.0 110.864 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 54.1 Cg_endo -69.78 -8.42 23.56 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.716 2.278 . . . . 0.0 112.349 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -121.55 -29.01 1.5 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.432 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.3 m -118.65 84.15 23.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.606 0.717 . . . . 0.0 110.831 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -6.52 18.81 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.663 2.242 . . . . 0.0 112.33 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 3.3 p90 -88.85 0.84 56.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.44 160.71 39.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -118.22 145.05 45.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.441 HG11 ' CE1' ' A' ' 127' ' ' HIS . 98.6 t -130.42 114.86 29.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 41.7 t -94.02 137.0 33.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.441 ' CE1' HG11 ' A' ' 125' ' ' VAL . 44.4 m-70 -112.0 135.89 52.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.43 ' O ' ' CD1' ' A' ' 129' ' ' PHE . 4.5 tp -100.45 146.93 26.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.539 ' CD2' ' HA ' ' A' ' 25' ' ' TYR . 35.9 m-85 -148.09 173.23 13.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.424 ' CB ' HD22 ' A' ' 26' ' ' LEU . . . -138.48 159.17 42.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.106 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -62.22 128.91 38.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.416 ' CD2' ' CG ' ' A' ' 133' ' ' ASP . 6.6 tt -110.65 -52.4 2.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.416 ' CG ' ' CD2' ' A' ' 132' ' ' LEU . 56.6 m-20 -116.1 141.88 28.4 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.59 0.709 . . . . 0.0 110.851 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -41.94 3.77 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -41.07 -35.12 0.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . 0.454 ' NE2' ' HB2' ' A' ' 21' ' ' CYS . 31.1 mt-30 -129.66 101.25 18.78 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.601 0.715 . . . . 0.0 110.958 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 137.5 35.59 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.715 2.276 . . . . 0.0 112.324 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -39.99 -43.42 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -59.46 -53.09 49.06 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.528 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -48.66 -24.37 1.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.762 0.315 . . . . 0.0 111.072 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.571 HD13 ' CE2' ' A' ' 111' ' ' PHE . 33.7 mt -76.83 -73.55 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.461 HG21 ' CG2' ' A' ' 93' ' ' THR . 5.7 m -41.7 -53.02 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 97.4 m -47.53 -67.58 0.26 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.179 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -40.96 -47.05 2.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.431 ' CG2' ' HG ' ' A' ' 149' ' ' LEU . 68.2 mt -53.47 -59.82 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.154 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 74.2 p -53.45 -33.78 55.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -67.25 -39.38 86.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 32.2 t -94.47 -67.47 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.431 ' HG ' ' CG2' ' A' ' 145' ' ' ILE . 2.5 mm? -40.97 -70.64 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 18.8 mt -64.81 -47.03 79.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.909 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 101.33 132.65 7.83 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.46 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.54 151.13 23.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.789 0.328 . . . . 0.0 110.857 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . 0.421 ' HD2' ' C ' ' A' ' 153' ' ' ARG . 0.0 OUTLIER -124.99 -10.75 7.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -55.31 108.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 10.0 p -47.16 165.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 150.3 98.46 0.18 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 141.82 46.2 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.683 2.255 . . . . 0.0 112.337 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 8.7 t -106.74 177.36 4.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 16.5 m -123.69 166.86 14.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.804 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 t -90.22 164.8 14.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 0.0 110.853 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.2 m -71.12 -51.59 24.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.836 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.5 79.33 0.14 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.489 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.1 p -134.59 163.2 30.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.907 0.384 . . . . 0.0 110.859 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.2 p -91.91 128.81 37.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.67 173.36 28.65 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.0 mmm -122.44 144.83 48.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.826 0.346 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.0 t -136.04 141.82 44.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.9 m -83.18 124.9 30.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.84 -53.78 54.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -46.35 -45.16 17.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.078 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.23 -39.74 94.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.437 HD11 ' CE ' ' A' ' 147' ' ' LYS . 7.8 mt -59.09 -51.03 71.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.3 mt -60.03 -61.87 2.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.488 ' CG ' ' N ' ' A' ' 17' ' ' GLN . 20.5 ptt85 -49.74 -47.78 50.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.488 ' N ' ' CG ' ' A' ' 16' ' ' ARG . 48.2 mm-40 -42.58 -50.01 5.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.87 117.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.85 121.86 37.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.354 . . . . 0.0 111.064 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.67 137.59 25.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.3 p -163.33 172.42 14.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -85.06 131.92 34.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.541 HG22 ' CD1' ' A' ' 129' ' ' PHE . 19.6 m -117.84 166.42 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.175 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.444 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 2.3 tm? -95.44 111.95 23.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -77.28 99.24 5.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.477 HD21 ' CG ' ' A' ' 100' ' ' TRP . 66.6 mt -74.36 -71.33 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.5 t -174.66 174.19 2.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.5 t -139.88 122.19 15.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.9 t -105.62 135.54 43.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.177 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -66.96 121.02 14.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 32' ' ' GLU . 29.4 p -114.22 39.4 2.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 31' ' ' THR . 8.5 pt-20 -35.11 -46.24 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.0 t -96.08 -36.25 11.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 31' ' ' THR . 2.1 mm? -71.23 145.3 49.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.1 t -165.05 163.43 20.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.56 -154.02 45.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.467 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.461 ' HA ' ' CZ ' ' A' ' 90' ' ' PHE . 54.1 Cg_endo -69.71 3.32 2.81 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.242 . . . . 0.0 112.365 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -98.02 -42.97 7.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.86 -41.25 74.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.2 t -63.62 -49.33 82.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.73 -26.73 35.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -73.63 -58.6 3.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.3 -44.35 23.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.3 m -58.45 -55.01 40.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.8 t -57.18 -54.08 50.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -44.44 -27.61 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.48 -55.6 14.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.058 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.2 mp -70.67 -38.81 73.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.1 t -65.69 -49.8 67.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 50.7 t -64.29 138.07 58.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.543 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 33.0 p -150.29 144.68 17.73 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.619 0.724 . . . . 0.0 110.854 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.7 Cg_endo -69.81 130.15 16.14 Favored 'Cis proline' 0 C--N 1.341 0.143 0 C-N-CA 122.631 -1.82 . . . . 0.0 112.362 -0.021 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.452 ' N ' ' HA ' ' A' ' 51' ' ' SER . 9.3 ptp180 -34.55 145.26 0.18 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.628 0.727 . . . . 0.0 110.856 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 152.06 68.95 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.1 m -88.69 114.17 58.77 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.549 0.69 . . . . 0.0 111.131 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.419 ' CB ' HD12 ' A' ' 24' ' ' LEU . 54.0 Cg_endo -69.74 155.39 66.14 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.702 2.268 . . . . 0.0 112.357 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -136.96 152.83 50.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.1 m -84.17 138.36 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.0 m -144.41 -176.73 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 18.0 t-80 -105.41 149.09 26.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -132.89 136.61 46.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.3 tttt -148.34 133.83 18.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 40.7 t -122.95 118.22 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.4 t -139.25 175.27 9.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.83 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.88 -23.37 18.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.116 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -86.84 24.81 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.0 -125.32 7.94 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 71.4 mt -130.27 145.12 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.977 0.417 . . . . 0.0 111.078 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 m -131.15 115.46 16.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.6 mt -113.82 132.53 55.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 42.1 m -116.66 147.66 41.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.172 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.544 ' OD2' ' CZ ' ' A' ' 78' ' ' PHE . 3.2 m-20 -139.34 136.62 35.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -101.8 -35.44 9.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.696 ' NE2' ' H ' ' A' ' 76' ' ' LYS . 1.1 pp0? -50.27 -19.96 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 74' ' ' GLN . 67.5 mtm180 37.51 27.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.696 ' H ' ' NE2' ' A' ' 74' ' ' GLN . 27.5 mttt -92.51 -60.93 1.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -79.64 -49.97 11.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.544 ' CZ ' ' OD2' ' A' ' 72' ' ' ASP . 33.3 p90 -155.77 153.15 29.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -80.98 -70.1 0.56 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -150.93 150.02 30.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.487 ' HB3' ' CE1' ' A' ' 83' ' ' TYR . 3.5 mmm180 -136.37 124.83 23.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -107.12 118.89 37.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.487 ' CE1' ' HB3' ' A' ' 81' ' ' ARG . 4.4 m-85 -110.97 113.69 54.68 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.64 0.733 . . . . 0.0 110.926 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 148.24 64.76 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.731 2.288 . . . . 0.0 112.366 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.402 HG23 ' CD1' ' A' ' 149' ' ' LEU . 9.8 p -51.71 -31.56 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 87' ' ' SER . 6.7 m-20 -67.26 -67.87 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 86' ' ' ASN . 99.0 p -34.89 -56.75 0.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.801 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 13.5 mt -57.91 106.29 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.8 t -114.85 -7.72 12.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.156 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.461 ' CZ ' ' HA ' ' A' ' 37' ' ' PRO . 22.4 t80 -153.23 137.1 16.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.5 ' O ' ' CG2' ' A' ' 146' ' ' THR . 47.1 t -163.0 120.23 1.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.9 m -172.37 151.73 2.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 35.7 p -53.45 160.42 1.21 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.171 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.496 ' OD2' ' N ' ' A' ' 98' ' ' ARG . 36.8 p-10 -47.89 117.5 5.48 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.624 0.726 . . . . 0.0 110.852 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -8.44 23.6 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.727 2.284 . . . . 0.0 112.335 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -102.88 21.16 16.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.7 t70 37.29 47.89 0.74 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.496 ' N ' ' OD2' ' A' ' 94' ' ' ASP . 14.4 tpp180 -83.93 160.14 21.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 26.7 mmt85 -131.28 148.49 52.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.477 ' CG ' HD21 ' A' ' 26' ' ' LEU . 74.4 t-105 -111.23 103.65 12.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.4 m -66.28 111.37 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.126 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -68.38 158.99 83.13 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.635 0.731 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 0.72 5.24 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.68 2.253 . . . . 0.0 112.333 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -94.55 -39.26 10.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 128.68 42.44 0.24 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.2 p -145.59 170.7 15.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 111.205 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 77.1 p -114.12 144.08 43.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.107 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.5 m -129.13 169.67 14.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -92.81 128.79 38.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 53.6 mt -93.25 136.04 26.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.081 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.533 ' CD1' ' HB1' ' A' ' 138' ' ' ALA . 10.9 p90 -145.55 160.8 41.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -178.25 149.97 9.47 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -112.33 158.54 19.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.916 0.389 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.9 t -104.54 107.49 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -120.58 153.03 37.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.075 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -78.72 150.63 32.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -73.77 137.65 76.83 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.593 0.711 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 0.6 5.4 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -122.27 -24.99 2.1 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.445 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 36.5 m -131.51 95.16 24.34 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.654 0.74 . . . . 0.0 110.906 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -19.47 36.27 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.665 2.243 . . . . 0.0 112.382 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . 0.404 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 43.9 p90 -90.01 22.24 3.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.404 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 72.1 mt-10 -144.86 163.38 34.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -140.46 141.35 35.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.6 p -147.03 123.63 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 36.3 t -86.09 156.27 20.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -118.61 118.62 32.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 9.8 tp -80.1 145.57 32.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.541 ' CD1' HG22 ' A' ' 23' ' ' VAL . 43.4 m-85 -148.98 167.18 26.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -143.29 135.25 26.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.418 ' HB3' ' N ' ' A' ' 138' ' ' ALA . 0.1 OUTLIER -52.09 109.01 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.9 tt -75.25 -49.51 19.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -92.71 145.28 30.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.628 0.728 . . . . 0.0 110.886 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -45.37 1.58 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.704 2.269 . . . . 0.0 112.295 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.72 -35.51 79.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -107.12 84.38 1.64 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.625 0.726 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 170.13 17.27 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.65 2.233 . . . . 0.0 112.374 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.533 ' HB1' ' CD1' ' A' ' 111' ' ' PHE . . . -60.15 -43.1 96.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -54.03 -54.4 31.62 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -49.16 -29.17 5.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 47.9 mt -74.61 -72.38 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.429 HG23 ' N ' ' A' ' 143' ' ' THR . 20.6 m -45.74 -45.88 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.429 ' N ' HG23 ' A' ' 142' ' ' VAL . 66.7 m -48.46 -60.89 2.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -51.27 -41.97 60.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 80.5 mt -58.97 -74.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.158 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 91' ' ' SER . 30.6 p -47.89 -35.44 10.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.437 ' CE ' HD11 ' A' ' 14' ' ' LEU . 5.6 mtpp -52.08 -50.28 61.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.457 HG13 ' CD2' ' A' ' 149' ' ' LEU . 8.8 p -96.95 -53.65 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.083 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.457 ' CD2' HG13 ' A' ' 148' ' ' VAL . 4.0 mm? -51.9 -62.71 1.46 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.88 -30.55 62.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -89.51 79.28 1.57 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.466 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -98.81 124.02 43.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 21.3 mtm180 -108.54 -35.59 6.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 12.7 pttp -73.67 162.82 28.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 14.8 t -49.92 122.68 6.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -158.21 -157.82 8.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.469 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 158' ' ' SER . 53.8 Cg_endo -69.76 2.37 3.59 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.368 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 157' ' ' PRO . 16.4 m -34.8 131.61 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 8.7 t -117.05 135.1 53.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.46 179.979 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -68.19 119.82 13.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.909 0.385 . . . . 0.0 110.829 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.2 p -171.0 127.14 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.12 159.94 32.82 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.6 m -143.76 166.29 25.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 0.0 110.873 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -147.88 143.61 27.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.856 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.36 -134.78 3.35 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.448 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.1 mmt -77.87 172.5 13.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.764 0.316 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.6 p -102.21 85.65 2.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.9 m -91.94 -29.68 16.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.119 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.4 -26.38 63.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.113 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.51 -29.86 41.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.069 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -74.72 -25.27 59.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.7 mt -64.44 -47.31 79.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.1 mp -54.87 -45.71 74.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -48.6 -30.89 5.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -85.66 -55.63 3.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.38 144.97 2.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.468 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.38 124.97 33.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.777 0.322 . . . . 0.0 111.129 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.59 141.61 27.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.418 ' HB3' ' NE2' ' A' ' 136' ' ' GLN . 24.8 p -166.1 166.72 16.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.9 m -81.05 138.54 35.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.9 m -128.12 176.8 6.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -107.04 116.11 31.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -82.3 108.72 15.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.543 HD22 ' CD1' ' A' ' 100' ' ' TRP . 66.8 mt -76.78 -71.47 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.7 t -173.52 162.68 4.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.9 p -125.7 136.63 53.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.5 t -121.87 146.81 26.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -71.47 116.49 11.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.5 p -117.29 37.36 3.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -40.11 -50.31 2.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.3 t -85.01 -49.32 8.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -58.75 137.5 57.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.937 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 79.4 p -147.42 173.44 12.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.54 -157.84 36.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.4 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 53.7 Cg_endo -69.79 2.5 3.49 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.616 2.211 . . . . 0.0 112.367 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -84.11 -42.51 15.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.27 -42.79 92.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.0 t -54.52 -42.62 60.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.091 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.66 -36.3 83.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -57.94 -61.16 2.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -39.39 -63.05 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.3 m -47.49 -46.16 26.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.4 t -59.59 -34.18 72.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.71 -11.37 45.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.089 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.4 -30.81 23.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.072 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.9 mt -94.97 -27.48 15.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.0 t -79.42 -48.34 14.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 42.0 t -58.31 138.21 56.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.528 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 15.6 p -139.97 152.11 66.94 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.697 0.76 . . . . 0.0 110.842 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.5 Cg_endo -69.75 169.98 60.63 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.337 -0.067 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -46.29 145.11 2.85 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.578 0.704 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 159.43 53.48 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.689 2.259 . . . . 0.0 112.36 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 50.2 m -105.7 93.31 7.15 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.569 0.699 . . . . 0.0 111.104 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 159.46 53.28 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.692 2.261 . . . . 0.0 112.325 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -141.46 156.54 45.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.2 t -85.34 123.87 39.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.9 m -134.22 177.37 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.15 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -97.69 160.11 14.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -148.74 117.32 6.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 41.5 tttm -125.28 144.23 50.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.7 t -121.85 116.86 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 t -138.45 157.69 45.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.815 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -50.29 -21.07 1.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.095 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -89.18 19.57 4.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.923 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.07 -150.73 19.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.478 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 87.4 mt -109.0 143.07 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.949 0.404 . . . . 0.0 111.092 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.5 m -131.51 111.5 11.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.126 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.8 mt -99.99 152.5 20.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 22.6 m -140.53 122.35 15.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.162 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -105.4 146.92 28.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -116.88 -41.03 3.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -71.43 -16.45 62.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 33.0 mtt180 47.08 45.36 15.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -76.69 -35.23 58.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 mt -128.42 -50.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -140.66 140.27 34.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.43 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 1.8 t80 -75.65 -57.09 4.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -140.08 163.44 32.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -159.71 123.2 3.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -102.88 124.21 47.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.461 ' OH ' ' CE1' ' A' ' 127' ' ' HIS . 45.9 m-85 -121.23 95.7 48.47 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.701 0.763 . . . . 0.0 110.917 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 85' ' ' VAL . 53.4 Cg_endo -69.82 136.19 32.22 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.655 2.237 . . . . 0.0 112.311 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.454 ' C ' ' O ' ' A' ' 84' ' ' PRO . 9.7 p -33.89 -44.58 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.444 ' N ' HG13 ' A' ' 85' ' ' VAL . 76.4 m-20 -52.94 -55.89 20.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.5 m -50.01 -42.99 50.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.8 mt -80.57 124.9 38.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 62.2 p -116.85 -33.44 4.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.123 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.4 ' CZ ' ' HB3' ' A' ' 37' ' ' PRO . 52.8 t80 -137.1 150.86 48.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.2 t -170.12 113.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.3 m -165.95 147.32 6.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.6 p -45.82 143.39 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.423 ' CG ' ' HD2' ' A' ' 95' ' ' PRO . 2.0 t70 -46.95 140.94 5.98 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.569 0.699 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' ' 94' ' ' ASP . 53.4 Cg_endo -69.77 -31.38 20.59 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.725 2.284 . . . . 0.0 112.324 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -76.17 -5.78 48.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 39.7 41.93 0.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -77.87 -178.38 5.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 78.5 mmt-85 -123.6 166.58 15.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.543 ' CD1' HD22 ' A' ' 26' ' ' LEU . 49.9 t-105 -126.5 110.43 13.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.0 m -75.55 91.23 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -49.18 154.38 1.42 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.608 0.718 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 0.63 5.39 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.641 2.228 . . . . 0.0 112.318 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -95.57 -36.05 11.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 125.73 54.91 0.16 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 11.6 t -162.9 156.81 20.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.843 0.354 . . . . 0.0 111.138 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 27.4 p -99.76 155.5 17.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 46.5 m -152.77 152.22 31.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -69.46 147.98 50.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 82.6 mt -108.07 131.9 57.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.134 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.495 ' CD1' ' HB3' ' A' ' 138' ' ' ALA . 6.8 p90 -151.08 158.97 44.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -169.4 -176.1 39.07 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.511 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.534 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 0.6 OUTLIER -143.47 168.7 19.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.913 0.387 . . . . 0.0 110.841 -179.868 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.4 t -121.53 123.52 69.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.106 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -134.82 161.14 36.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.086 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -80.4 140.25 36.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.47 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 7.7 ttmm -47.34 140.53 7.17 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.58 0.705 . . . . 0.0 110.905 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 53.6 Cg_endo -69.79 1.47 4.42 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.688 2.259 . . . . 0.0 112.351 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -137.41 3.63 3.3 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.407 ' HA ' ' HD2' ' A' ' 121' ' ' PRO . 43.0 m -158.25 105.0 1.69 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.628 0.728 . . . . 0.0 110.911 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.42 ' HD2' ' CZ3' ' A' ' 122' ' ' TRP . 53.7 Cg_endo -69.76 -7.41 20.99 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.688 2.259 . . . . 0.0 112.363 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . 0.43 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 19.7 p90 -96.14 2.75 53.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.43 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 42.8 mt-10 -121.69 163.09 19.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -139.8 136.93 34.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 2.0 t -135.3 109.26 10.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 52.0 t -82.27 135.81 35.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.461 ' CE1' ' OH ' ' A' ' 83' ' ' TYR . 7.0 m-70 -112.26 112.46 24.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.2 tp -75.1 157.56 34.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' A' ' 111' ' ' PHE . 19.6 m-85 -152.67 172.35 16.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -144.46 157.54 44.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.142 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.444 ' HG2' ' N ' ' A' ' 138' ' ' ALA . 87.8 mt-10 -70.79 120.45 16.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 10.4 tt -97.39 -45.7 6.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.913 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.82 144.17 29.76 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.574 0.702 . . . . 0.0 110.86 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -49.85 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.641 2.227 . . . . 0.0 112.383 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -52.0 -42.55 63.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . 0.418 ' NE2' ' HB3' ' A' ' 21' ' ' CYS . 31.5 mt-30 -114.38 80.48 5.98 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.572 0.701 . . . . 0.0 110.91 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -172.13 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.751 2.301 . . . . 0.0 112.33 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.495 ' HB3' ' CD1' ' A' ' 111' ' ' PHE . . . -74.53 -45.96 42.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -46.35 -47.82 16.33 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.57 -28.01 65.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 0.0 111.131 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.483 HD11 ' CZ ' ' A' ' 111' ' ' PHE . 74.9 mt -77.4 -73.14 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 6.4 m -45.74 -48.47 4.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 75.2 m -47.9 -63.51 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -48.76 -42.27 34.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.54 -59.92 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 45.2 p -58.41 -15.32 10.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.16 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 8.5 mtpt -85.81 -42.98 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 28.8 t -92.91 -68.12 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.146 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -39.99 -70.37 0.11 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 4.7 mt -59.08 -44.66 91.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 100.3 24.53 9.49 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.521 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -71.99 165.18 24.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.74 117.39 9.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -127.58 104.31 7.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 50.7 p -60.17 132.9 55.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 178.88 79.29 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.487 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 163.59 37.69 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.69 2.26 . . . . 0.0 112.333 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.4 t -164.34 148.11 9.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 5.0 m -43.88 -53.15 6.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.457 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 m -122.34 -49.69 2.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.878 0.371 . . . . 0.0 110.884 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 t -78.33 91.75 4.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.38 -134.94 18.92 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.524 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -154.63 160.79 41.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.896 0.379 . . . . 0.0 110.843 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.0 m -139.31 132.1 29.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.92 136.56 3.64 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.517 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.61 94.87 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.352 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 10' ' ' THR . 98.6 p -67.84 -47.63 68.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 9' ' ' SER . 41.4 p 34.64 43.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.126 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.43 -21.42 59.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -42.02 -61.57 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.19 -49.37 77.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.94 -43.93 19.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.1 mt -67.29 -44.99 77.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.947 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.7 mtt85 -55.88 -19.89 13.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -84.54 -63.16 1.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.05 133.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.66 123.66 33.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 0.0 111.051 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.57 120.28 11.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.458 ' HB2' ' NE2' ' A' ' 136' ' ' GLN . 2.0 t -154.74 178.8 9.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.8 p -93.92 129.41 40.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.542 HG22 ' CD2' ' A' ' 129' ' ' PHE . 32.1 m -115.54 173.5 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.162 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.444 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 2.3 tm? -104.51 110.85 23.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -80.35 100.72 8.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.51 HD23 ' CD2' ' A' ' 100' ' ' TRP . 96.3 mt -69.03 -72.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 28' ' ' SER . 5.9 t -162.52 -176.0 4.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.436 ' N ' ' OG1' ' A' ' 27' ' ' THR . 61.9 p -140.22 119.87 13.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.406 HG11 ' N ' ' A' ' 30' ' ' GLU . 22.2 t -113.96 139.51 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.145 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.406 ' N ' HG11 ' A' ' 29' ' ' VAL . 8.9 mt-10 -75.66 119.95 20.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 42.1 p -114.03 42.07 2.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.129 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -42.3 -45.92 4.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -94.0 -43.1 8.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -62.36 136.16 57.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.945 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.4 p -142.81 177.39 8.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 55.4 -150.36 20.99 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.528 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.534 ' HD3' ' CE2' ' A' ' 90' ' ' PHE . 53.9 Cg_endo -69.76 -20.96 34.16 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.668 2.245 . . . . 0.0 112.363 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -63.3 -36.33 83.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.6 -39.08 88.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.3 t -60.74 -48.39 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.087 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.27 -33.36 74.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.131 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.5 ttt85 -57.75 -62.69 1.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.84 -35.06 30.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.07 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.1 m -65.18 -36.2 83.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.4 t -71.47 -63.49 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -38.11 -35.46 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.117 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -45.8 -50.78 13.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.481 ' N ' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -99.72 -33.26 10.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.1 t -63.8 -50.3 69.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.414 ' O ' ' O ' ' A' ' 51' ' ' SER . 1.4 m -84.09 24.69 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.493 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 0.4 OUTLIER -38.98 160.59 0.09 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.675 0.75 . . . . 0.0 110.856 -179.725 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 51' ' ' SER . 54.1 Cg_endo -69.75 153.36 92.92 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.354 -0.045 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.417 ' C ' ' HD2' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -55.96 142.28 65.28 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.646 0.736 . . . . 0.0 110.851 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 166.05 28.82 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 94.5 m -93.73 110.46 47.52 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.596 0.712 . . . . 0.0 111.14 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 172.69 12.17 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.656 2.238 . . . . 0.0 112.36 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.76 154.32 29.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.07 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.5 t -89.93 119.78 37.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.3 m -131.24 159.61 42.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -74.03 151.35 40.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -133.88 142.02 47.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -147.81 141.5 25.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 99.1 t -130.83 107.59 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.9 t -131.66 167.46 19.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.18 -22.04 15.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.07 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -90.21 19.45 5.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.93 -154.75 19.6 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.475 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.455 ' CD1' HD13 ' A' ' 88' ' ' ILE . 70.6 mt -113.23 135.19 53.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.937 0.399 . . . . 0.0 111.075 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.402 ' N ' HG21 ' A' ' 68' ' ' ILE . 62.3 m -114.34 137.84 51.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.109 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.2 mt -130.08 128.11 41.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.418 ' HA ' ' CB ' ' A' ' 80' ' ' ARG . 99.3 m -114.83 108.79 17.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.509 ' OD1' ' CZ ' ' A' ' 78' ' ' PHE . 0.6 OUTLIER -87.3 140.76 29.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -113.48 -50.41 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -56.07 -23.81 36.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.4 mtp180 43.12 34.21 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -93.02 -39.3 11.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.4 mt -102.39 -36.03 8.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.509 ' CZ ' ' OD1' ' A' ' 72' ' ' ASP . 1.3 p90 -174.92 172.07 2.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -108.35 167.56 9.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.418 ' CB ' ' HA ' ' A' ' 71' ' ' THR . 6.7 ptm180 -38.74 138.3 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 18.1 mmm-85 -133.25 128.66 36.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -101.08 115.78 31.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -107.15 121.05 45.89 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.699 0.761 . . . . 0.0 110.911 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 135.26 29.94 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.3 p -41.78 -39.81 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -52.3 -48.25 65.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 39.6 t -52.63 -57.84 8.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.455 HD13 ' CD1' ' A' ' 68' ' ' ILE . 16.8 mt -66.52 105.92 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.115 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 74.0 p -111.39 -41.67 4.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.534 ' CE2' ' HD3' ' A' ' 37' ' ' PRO . 18.6 t80 -121.73 132.74 54.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.496 ' O ' ' CG2' ' A' ' 146' ' ' THR . 3.7 t -150.76 136.59 18.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.1 t -175.15 144.42 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.37 168.18 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -60.75 123.3 73.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.592 0.711 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -31.82 19.86 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.713 2.276 . . . . 0.0 112.316 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -69.83 -1.77 10.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 42.68 35.19 0.65 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -86.33 171.3 11.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 8.2 mmt85 -117.63 155.13 30.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.51 ' CD2' HD23 ' A' ' 26' ' ' LEU . 53.1 t-105 -112.62 112.35 23.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 31.8 m -77.16 90.89 3.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -44.71 159.55 0.25 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -5.5 16.37 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.681 2.254 . . . . 0.0 112.321 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -91.72 -34.99 14.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 124.73 55.66 0.18 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.457 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.0 t -163.16 149.01 11.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.346 . . . . 0.0 111.172 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.1 p -88.66 154.4 20.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 90.4 p -149.04 151.99 35.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -69.25 131.54 45.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 13.6 mt -94.73 129.09 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.562 ' CD1' ' HB3' ' A' ' 138' ' ' ALA . 9.3 p90 -150.66 166.54 30.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 177.02 -175.79 47.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.51 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -140.72 173.07 11.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.372 . . . . 0.0 110.875 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.3 t -118.39 117.04 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -127.14 144.93 50.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -85.66 143.71 28.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 19.4 mttp -56.74 146.25 58.17 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.602 0.715 . . . . 0.0 110.912 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -29.6 23.68 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.713 2.275 . . . . 0.0 112.342 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -104.63 -11.88 29.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.488 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.429 ' HB3' ' NE1' ' A' ' 122' ' ' TRP . 37.8 m -130.14 78.91 73.86 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.702 0.763 . . . . 0.0 110.879 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -3.09 11.32 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.681 2.254 . . . . 0.0 112.369 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . 0.429 ' NE1' ' HB3' ' A' ' 120' ' ' SER . 5.4 p90 -87.52 -26.97 22.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -115.56 149.68 37.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -110.64 151.95 27.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 5.2 t -133.95 121.99 40.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 43.2 t -98.95 138.05 36.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -110.9 128.67 55.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 9.1 tp -89.52 135.47 33.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.542 ' CD2' HG22 ' A' ' 23' ' ' VAL . 35.5 m-85 -138.5 171.4 14.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -147.75 155.87 42.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -62.91 126.46 27.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 9.7 tt -108.3 -47.8 3.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.432 ' CG ' ' HD2' ' A' ' 134' ' ' PRO . 9.7 t70 -114.98 139.91 24.88 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.6 0.714 . . . . 0.0 110.902 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . 0.432 ' HD2' ' CG ' ' A' ' 133' ' ' ASP . 53.1 Cg_endo -69.79 -32.81 17.73 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.325 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -50.96 -36.82 40.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . 0.458 ' NE2' ' HB2' ' A' ' 21' ' ' CYS . 26.0 mt-30 -127.91 96.27 32.42 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.602 0.715 . . . . 0.0 110.911 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 149.74 66.9 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.562 ' HB3' ' CD1' ' A' ' 111' ' ' PHE . . . -53.22 -32.82 50.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -62.25 -42.76 99.71 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.478 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.82 -31.0 71.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.742 0.306 . . . . 0.0 111.069 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 80.0 mt -71.61 -72.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 4.5 m -40.59 -53.51 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 144' ' ' PHE . 92.5 m -50.67 -70.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 143' ' ' THR . 14.0 t80 -37.67 -42.21 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.414 ' CG2' ' HB2' ' A' ' 149' ' ' LEU . 72.9 mt -65.98 -65.6 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 91' ' ' SER . 4.5 p -52.11 -14.25 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -83.02 -61.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.473 ' CG1' ' N ' ' A' ' 149' ' ' LEU . 13.6 p -97.21 -53.02 8.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.473 ' N ' ' CG1' ' A' ' 148' ' ' VAL . 1.8 mm? -52.44 -21.87 4.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 9.1 tp -115.97 -48.83 2.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 41.25 71.1 0.35 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -108.46 -58.41 2.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.816 0.341 . . . . 0.0 110.918 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . 0.424 ' HD2' ' C ' ' A' ' 153' ' ' ARG . 0.3 OUTLIER -96.57 168.16 10.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 28.7 tttm -77.38 119.83 21.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 25.6 t -67.81 -54.12 21.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 82.83 74.59 1.19 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.538 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 121.53 8.23 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.691 2.261 . . . . 0.0 112.364 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 25.4 t -78.14 -61.27 2.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 6.4 t -72.53 149.94 43.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.9 m -55.03 -56.05 24.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.868 0.366 . . . . 0.0 110.882 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.8 m -61.57 115.53 4.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.7 155.96 17.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.511 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -168.57 121.86 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.359 . . . . 0.0 110.883 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -100.51 148.54 24.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.23 110.0 3.31 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.507 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.79 161.32 10.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.324 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.0 m -147.44 114.91 6.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.8 p -61.87 119.17 8.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.179 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.33 -45.44 66.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.14 -33.18 25.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.119 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -73.61 -41.5 62.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 15' ' ' LEU . 7.9 mt -52.76 -63.49 1.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 14' ' ' LEU . 37.5 mt -35.99 -53.82 0.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -42.38 -44.86 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -62.09 -50.73 70.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.01 114.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.57 119.63 39.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.781 0.324 . . . . 0.0 111.057 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.438 ' CB ' ' HG2' ' A' ' 62' ' ' LYS . . . -141.18 128.56 21.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.401 ' SG ' ' OD2' ' A' ' 133' ' ' ASP . 1.8 t -162.43 169.09 21.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.1 m -90.91 122.32 33.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.824 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.48 HG23 ' CD1' ' A' ' 129' ' ' PHE . 24.4 m -108.2 -174.8 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.13 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.485 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 2.3 tm? -107.5 113.28 26.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -80.15 103.66 10.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.499 HD21 ' CD2' ' A' ' 100' ' ' TRP . 71.4 mt -73.09 -69.13 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.9 t -172.79 171.09 4.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.5 t -127.42 135.08 49.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 43' ' ' ALA . 55.9 t -119.66 143.28 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.152 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -77.79 116.51 18.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.5 p -116.86 44.3 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.135 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -43.1 -42.53 4.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 t -99.79 -34.3 10.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -71.48 135.42 47.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.4 p -156.59 141.38 17.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.27 -151.67 18.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -16.7 37.66 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.691 2.261 . . . . 0.0 112.391 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -78.49 -45.0 23.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.92 -42.01 71.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.8 t -61.17 -44.7 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.33 -53.41 57.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.081 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -42.12 -65.0 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.46 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . . . -39.9 -48.89 2.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.087 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.2 m -60.81 -57.31 13.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.836 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.7 t -43.79 -49.2 8.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.47 -29.39 68.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.134 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.61 -45.32 92.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.7 mp -85.1 -36.9 20.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.7 t -64.32 -53.24 51.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.6 p -55.4 147.9 16.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.516 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 20.7 p -150.79 153.79 34.02 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.669 0.747 . . . . 0.0 110.905 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 51' ' ' SER . 54.1 Cg_endo -69.76 166.71 73.34 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.391 -0.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -43.55 138.52 2.88 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.572 0.701 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 159.97 51.42 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.621 2.214 . . . . 0.0 112.312 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.4 m -104.21 94.18 6.48 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.521 0.677 . . . . 0.0 111.128 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.41 ' HB2' ' CD1' ' A' ' 24' ' ' LEU . 53.9 Cg_endo -69.76 156.36 63.53 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -137.39 156.03 48.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.0 m -86.89 138.68 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.3 m -143.8 172.77 6.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 62' ' ' LYS . 39.8 t-80 -86.27 132.77 33.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.471 ' CE1' ' CG2' ' A' ' 141' ' ' ILE . 11.0 t80 -118.81 123.57 45.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.562 ' HB2' ' CE1' ' A' ' 60' ' ' HIS . 0.5 OUTLIER -148.43 147.98 29.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.5 t -125.66 121.03 59.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.165 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.5 p -135.64 169.13 18.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.55 -18.87 21.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.099 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -83.67 -15.44 48.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 127.63 -143.57 14.46 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.433 HG12 ' CD1' ' A' ' 88' ' ' ILE . 16.7 mm -103.64 136.58 35.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 111.134 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.8 m -119.31 130.14 55.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 24.5 mt -128.83 145.37 51.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 78.2 m -138.34 154.77 48.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -135.8 150.65 49.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -115.4 -49.38 2.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -65.35 -7.57 14.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 39.23 43.41 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -77.69 -54.69 6.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.5 mt -101.29 -50.89 3.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -145.78 158.51 43.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -86.84 -55.81 3.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.1 ptt-85 -158.77 151.8 22.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.946 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.426 ' NE ' ' HA ' ' A' ' 81' ' ' ARG . 4.6 mmp_? -149.35 123.59 9.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -119.51 130.36 55.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -119.93 143.35 35.07 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.683 0.754 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 171.56 14.28 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.7 2.266 . . . . 0.0 112.332 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.441 HG21 ' CD1' ' A' ' 149' ' ' LEU . 11.0 p -73.61 -24.34 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 87' ' ' SER . 35.2 t-20 -72.25 -52.8 14.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 86' ' ' ASN . 91.1 p -37.13 -49.19 0.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.433 ' CD1' HG12 ' A' ' 68' ' ' ILE . 12.1 mt -68.41 109.62 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.158 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 38.6 p -105.98 -31.76 8.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.431 ' CG ' ' N ' ' A' ' 91' ' ' SER . 62.5 t80 -135.76 169.01 18.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.431 ' N ' ' CG ' ' A' ' 90' ' ' PHE . 1.2 m -175.24 129.81 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.8 t -175.94 144.63 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 10.6 p -57.37 167.19 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.099 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -58.94 128.27 84.5 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.613 0.72 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.403 ' HG2' ' NE2' ' A' ' 96' ' ' GLN . 53.8 Cg_endo -69.7 -47.09 1.02 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.727 2.285 . . . . 0.0 112.355 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.403 ' NE2' ' HG2' ' A' ' 95' ' ' PRO . 15.4 mp0 -54.9 -25.29 28.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.0 t70 62.37 32.25 16.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -82.41 159.7 22.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -104.2 139.62 38.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.499 ' CD2' HD21 ' A' ' 26' ' ' LEU . 68.7 t-105 -101.43 114.92 29.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.5 m -76.15 93.97 3.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.112 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -58.12 157.53 16.26 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.615 0.721 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -3.49 12.11 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.658 2.239 . . . . 0.0 112.395 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -94.75 8.83 41.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.59 51.28 9.74 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 34.9 p -155.15 152.41 29.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 111.127 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 53.7 p -100.67 154.66 18.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.144 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 72.7 m -155.26 166.81 32.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -84.68 150.71 24.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 61.5 mt -101.59 143.99 13.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.165 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.55 ' CZ ' HD13 ' A' ' 141' ' ' ILE . 3.1 p90 -159.21 152.69 22.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -163.05 170.4 38.52 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.513 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.535 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -129.36 167.63 17.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.905 0.383 . . . . 0.0 110.861 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.7 t -124.16 103.43 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.51 161.87 21.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -77.3 151.7 34.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.439 ' CG ' HG23 ' A' ' 125' ' ' VAL . 2.2 mtpm? -63.24 148.45 93.13 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.635 0.731 . . . . 0.0 110.891 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -22.61 31.99 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.702 2.268 . . . . 0.0 112.372 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -107.59 -32.63 3.33 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.8 m -117.66 108.6 42.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.621 0.724 . . . . 0.0 110.859 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -2.78 10.75 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.732 2.288 . . . . 0.0 112.329 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 35.2 p90 -113.42 1.27 15.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -112.74 108.05 16.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -90.45 141.06 29.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.439 HG23 ' CG ' ' A' ' 117' ' ' LYS . 94.3 t -137.07 118.53 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 14.2 p -84.63 123.17 30.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.418 ' HB2' ' CE1' ' A' ' 113' ' ' PHE . 86.8 m-70 -96.74 110.0 22.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 11.4 tp -75.95 148.5 38.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.48 ' CD1' HG23 ' A' ' 23' ' ' VAL . 43.9 m-85 -153.96 169.58 23.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -145.01 122.81 11.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -42.59 105.98 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 9.0 tt -72.99 -52.46 14.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.401 ' OD2' ' SG ' ' A' ' 21' ' ' CYS . 3.3 p30 -84.56 135.38 40.89 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.611 0.72 . . . . 0.0 110.891 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -37.29 9.39 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.644 2.229 . . . . 0.0 112.366 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -58.63 -36.49 74.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . 0.414 ' HA ' ' HD2' ' A' ' 137' ' ' PRO . 28.1 mm-40 -115.98 102.7 53.86 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.635 0.731 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 136' ' ' GLN . 53.5 Cg_endo -69.81 176.54 6.67 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.366 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.419 ' CB ' ' HB3' ' A' ' 111' ' ' PHE . . . -62.96 -45.91 90.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -50.2 -54.67 18.53 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -43.4 -29.47 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.721 0.296 . . . . 0.0 111.067 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.55 HD13 ' CZ ' ' A' ' 111' ' ' PHE . 55.7 mt -76.31 -71.72 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 145' ' ' ILE . 17.4 m -46.58 -53.92 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.5 ' O ' ' CG ' ' A' ' 147' ' ' LYS . 98.2 m -41.87 -51.44 4.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.123 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -59.73 -30.26 68.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 142' ' ' VAL . 71.0 mt -73.44 -73.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 5.5 p -47.02 -23.41 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.186 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 143' ' ' THR . 10.6 mmtp -67.54 -57.25 6.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.433 HG13 ' CD2' ' A' ' 149' ' ' LEU . 9.7 p -88.17 -49.04 14.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.441 ' CD1' HG21 ' A' ' 85' ' ' VAL . 4.5 mm? -58.04 -62.57 1.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 10.4 mt -83.76 31.9 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -164.83 115.36 0.64 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.5 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 -111.8 99.24 7.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.76 0.314 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -125.92 93.75 3.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.64 153.26 16.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 6.5 t -143.46 108.51 4.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -145.17 164.78 27.9 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.442 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 138.18 37.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.33 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 13.5 t -123.08 138.79 54.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 43.4 p -61.79 161.37 10.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.46 179.981 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 m -133.22 154.28 50.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.851 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.7 m -149.58 150.2 31.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.99 88.52 1.42 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.532 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -58.91 -60.01 4.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.908 0.385 . . . . 0.0 110.844 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t -68.97 -61.76 1.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.833 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.05 -95.78 0.82 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.7 ptm -165.21 169.4 16.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.1 t -172.39 -178.03 1.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 11' ' ' ALA . 1.6 t -82.51 78.49 9.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.148 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.428 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . . . -37.2 -37.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.078 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -44.38 -46.4 9.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 16' ' ' ARG . 4.4 m-20 -73.48 -69.38 0.43 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 13' ' ' ASP . 0.2 OUTLIER -34.76 -47.59 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.504 ' C ' ' CD1' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -51.83 -45.39 63.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.904 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 13' ' ' ASP . 1.1 ptp180 -76.64 -23.55 53.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 35.3 tp60 -65.45 -28.4 69.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.2 130.44 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.499 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.64 119.19 23.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.784 0.326 . . . . 0.0 111.087 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.42 126.8 16.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.9 p -159.78 160.24 33.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 t -81.34 128.05 33.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.8 m -115.94 -175.52 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.141 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.544 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 2.2 tm? -119.63 117.34 28.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -85.46 99.02 10.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.946 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.512 HD22 ' CG ' ' A' ' 100' ' ' TRP . 55.7 mt -61.69 -69.25 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.3 t -170.93 160.0 6.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.0 p -119.46 122.6 42.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 55.8 t -113.69 111.39 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.159 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -47.12 116.29 1.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 32' ' ' GLU . 71.5 p -112.91 38.13 2.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.093 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 31' ' ' THR . 1.3 pp20? -34.47 -53.3 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.429 ' N ' ' CD ' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -86.44 -45.96 10.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 -179.787 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 31' ' ' THR . 2.3 mm? -61.9 135.57 57.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.7 t -155.23 164.71 38.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.29 -155.59 40.27 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -8.86 24.67 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.686 2.257 . . . . 0.0 112.319 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.1 tp60 -83.65 -48.75 9.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -47.73 -40.9 21.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.3 t -65.2 -36.58 78.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.85 -31.93 71.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.6 ttt85 -62.36 -58.67 6.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.76 -48.74 5.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.057 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.7 m -63.97 -45.93 86.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.8 m -52.15 -45.5 65.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.84 -34.36 62.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.31 -30.93 71.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.8 mt -93.4 -38.99 11.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.4 t -67.08 -53.2 33.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -54.92 151.4 8.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.521 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 21.0 p -157.45 153.84 24.13 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.672 0.749 . . . . 0.0 110.832 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.7 Cg_endo -69.78 175.87 34.93 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.356 -0.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.1 mtm-85 -47.07 138.46 7.57 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.628 0.727 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 176.29 6.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.661 2.241 . . . . 0.0 112.331 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.1 m -114.48 96.59 43.85 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.567 0.698 . . . . 0.0 111.16 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 153.28 69.26 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.736 2.291 . . . . 0.0 112.319 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -124.73 136.32 53.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.453 HG23 ' CD1' ' A' ' 132' ' ' LEU . 2.4 p -86.59 121.05 37.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.133 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.6 m -132.51 -178.29 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.443 ' CG ' ' N ' ' A' ' 61' ' ' PHE . 40.0 t-80 -94.85 163.15 13.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.443 ' N ' ' CG ' ' A' ' 60' ' ' HIS . 8.1 t80 -141.93 133.45 26.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.56 135.63 46.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.556 HG13 ' CD2' ' A' ' 144' ' ' PHE . 75.7 t -119.08 109.73 27.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 96.2 p -139.54 161.54 37.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.89 -43.16 69.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.068 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 -60.17 -13.27 11.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.16 -155.23 20.93 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 87.2 mt -113.33 148.9 15.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.879 0.371 . . . . 0.0 111.191 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 90.6 m -131.22 138.46 49.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.5 mt -127.15 124.84 40.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.965 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 62.2 m -118.72 138.11 52.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -121.82 146.94 46.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -104.93 -41.43 5.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -71.27 -13.97 62.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 47.86 47.45 18.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -74.04 -39.36 63.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.0 mt -125.71 -49.49 1.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -139.64 -179.22 5.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.541 ' CD2' ' HB2' ' A' ' 80' ' ' ARG . 45.1 t80 -129.38 -64.58 0.89 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.541 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 27.0 ttp180 -124.77 99.41 6.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 25.6 mtp85 -125.76 121.3 32.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.515 ' C ' ' CD2' ' A' ' 82' ' ' HIS . 0.7 OUTLIER -122.25 150.53 42.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -126.05 150.06 68.24 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.692 0.758 . . . . 0.0 110.906 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 167.61 23.99 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.353 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 13.8 p -77.65 -37.37 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.171 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -56.2 -57.54 11.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.0 p -39.88 -59.65 1.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.8 mt -52.48 97.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 77.1 p -113.47 -21.77 10.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -139.42 143.69 37.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 46.0 t -172.77 105.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.1 t -156.61 148.17 22.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 21.4 p -44.08 137.66 3.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.197 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.412 ' CG ' ' HD2' ' A' ' 95' ' ' PRO . 4.0 t70 -46.67 140.37 5.91 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.577 0.703 . . . . 0.0 110.838 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.412 ' HD2' ' CG ' ' A' ' 94' ' ' ASP . 54.2 Cg_endo -69.72 -31.68 20.2 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 0.0 112.361 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -62.1 -30.4 70.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 22.4 t0 60.57 28.52 18.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -77.72 155.35 31.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 -106.7 128.36 54.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.512 ' CG ' HD22 ' A' ' 26' ' ' LEU . 67.5 t-105 -91.84 107.63 19.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 30.4 m -69.93 92.14 0.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.145 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.421 ' ND2' ' OG ' ' A' ' 108' ' ' SER . 18.8 m-80 -56.24 160.42 4.96 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.602 0.715 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -5.36 16.05 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.695 2.263 . . . . 0.0 112.29 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -96.45 24.72 5.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.896 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 56.95 53.36 44.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.518 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.8 t -156.45 150.24 24.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.372 . . . . 0.0 111.139 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 37.1 p -93.94 155.3 17.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.159 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.421 ' OG ' ' ND2' ' A' ' 102' ' ' ASN . 11.1 p -152.36 130.34 11.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -61.44 133.5 55.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 54.9 mt -84.54 120.52 35.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -133.45 157.26 46.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -170.23 176.47 43.89 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -139.34 173.59 11.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 16.9 t -127.04 114.37 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.13 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -119.57 140.09 51.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -65.6 146.07 55.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.422 ' CG ' HG23 ' A' ' 125' ' ' VAL . 33.5 mttm -59.37 149.23 70.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.557 0.694 . . . . 0.0 110.919 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -46.81 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.71 2.273 . . . . 0.0 112.367 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -84.98 -35.34 12.8 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.432 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 45.3 m -109.82 93.27 14.24 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.686 0.755 . . . . 0.0 110.843 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.53 ' HG2' ' CE3' ' A' ' 122' ' ' TRP . 53.5 Cg_endo -69.78 -1.73 8.98 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.329 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . 0.53 ' CE3' ' HG2' ' A' ' 121' ' ' PRO . 1.8 p90 -99.33 -13.35 19.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -105.57 175.55 5.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -146.06 142.85 28.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.422 HG23 ' CG ' ' A' ' 117' ' ' LYS . 96.7 t -130.66 116.59 35.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 34.0 t -92.06 143.39 26.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -116.06 149.17 39.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.581 ' O ' ' CD1' ' A' ' 129' ' ' PHE . 8.0 tp -107.56 146.79 31.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.581 ' CD1' ' O ' ' A' ' 128' ' ' LEU . 34.4 m-85 -152.67 162.19 41.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -134.58 149.45 50.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.079 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.38 114.03 2.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.453 ' CD1' HG23 ' A' ' 58' ' ' VAL . 9.2 tt -89.05 -46.49 8.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.97 141.49 25.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.579 0.704 . . . . 0.0 110.858 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -46.01 1.35 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.688 2.259 . . . . 0.0 112.303 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -50.62 -40.0 51.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -107.55 86.63 2.91 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.579 0.704 . . . . 0.0 110.951 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 146.54 60.59 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.36 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -42.8 -48.26 5.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -47.69 -53.32 13.51 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.33 -27.11 33.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.779 0.324 . . . . 0.0 111.076 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 51.4 mt -78.79 -71.84 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.4 m -46.69 -46.78 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 91.9 m -52.76 -58.44 6.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' PHE . . . . . 0.556 ' CD2' HG13 ' A' ' 63' ' ' VAL . 20.6 t80 -49.36 -36.77 22.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 55.0 mt -62.69 -70.41 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 57.3 p -51.93 -19.8 1.98 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.19 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.33 -41.45 24.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 82.9 t -95.91 -61.82 2.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -49.79 -68.58 0.16 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . 0.458 ' N ' HD12 ' A' ' 150' ' ' LEU . 8.4 mp -66.04 -38.69 89.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -52.82 -101.81 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.499 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -164.45 163.85 22.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 0.0 110.909 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.59 131.79 55.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.0 -57.35 3.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 5.9 t -50.49 134.86 23.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -164.15 84.0 0.11 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.544 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 165.96 29.12 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.708 2.272 . . . . 0.0 112.336 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 7.1 t -108.44 107.35 17.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 17.7 t -148.52 157.34 43.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.502 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 3' ' ' SER . 45.8 t -120.68 -61.54 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.88 0.371 . . . . 0.0 110.865 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 2' ' ' SER . 74.8 m -35.6 126.53 0.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.37 101.85 0.2 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.477 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.6 m -153.06 164.61 37.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.377 . . . . 0.0 110.857 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 t -142.42 173.82 11.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.19 175.25 36.38 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 30.9 mtt -96.39 151.97 19.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.332 . . . . 0.0 110.835 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.5 p -162.4 176.9 10.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.8 p -106.49 34.8 3.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.179 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' ALA . . . -38.45 -42.25 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 11' ' ' ALA . . . -35.59 -63.16 0.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -47.21 -54.5 10.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.85 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.7 mt -47.91 -66.07 0.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.2 mp -47.98 -57.99 5.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -47.42 -42.17 21.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -62.42 -60.07 4.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 73.79 131.15 0.19 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.444 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.34 119.88 33.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 111.066 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.56 135.77 48.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.4 p -157.02 165.89 34.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.6 t -86.09 130.29 34.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.9 m -112.68 172.97 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.509 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 1.3 tm? -103.26 111.53 23.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -85.05 94.44 8.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.472 ' CD2' ' CD1' ' A' ' 100' ' ' TRP . 53.4 mt -60.83 -64.02 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.5 t -173.85 163.41 4.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.088 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.0 p -114.4 122.81 47.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.3 t -117.17 123.87 72.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.125 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -60.05 126.72 28.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 32' ' ' GLU . 75.2 p -125.35 35.99 4.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.169 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 31' ' ' THR . 12.8 pt-20 -34.19 -48.21 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 t -91.5 -42.48 10.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 31' ' ' THR . 2.1 mm? -65.64 143.29 57.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.2 t -162.28 171.86 16.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.22 -147.62 44.56 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 -27.5 26.05 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.659 2.24 . . . . 0.0 112.311 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -66.38 -52.89 42.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -44.94 -48.88 11.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 44.3 t -60.84 -30.03 46.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.122 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.68 -58.11 3.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.5 ttt85 -40.02 -59.82 1.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.84 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -37.99 -63.63 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.075 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.1 m -41.87 -46.03 3.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.1 t -60.64 -59.75 4.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -47.04 -45.69 21.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.061 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.02 -33.06 10.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.124 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mt -92.92 -41.97 9.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.6 t -66.39 -17.31 64.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 51' ' ' SER . 1.4 t -90.92 14.89 12.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.536 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 68.9 p -36.46 151.39 0.11 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.69 0.757 . . . . 0.0 110.851 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.6 Cg_endo -69.79 150.53 90.37 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 -1.811 . . . . 0.0 112.319 0.075 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 52' ' ' PRO . 32.2 mtt85 -34.67 126.36 0.52 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.619 0.723 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 145.81 58.44 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.721 2.281 . . . . 0.0 112.322 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 91.5 m -78.13 111.63 19.77 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.625 0.726 . . . . 0.0 111.146 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 169.79 18.06 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.663 2.242 . . . . 0.0 112.376 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -140.19 146.19 38.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.0 m -87.4 137.2 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.461 HG11 ' CB ' ' A' ' 72' ' ' ASP . 21.4 m -142.39 164.3 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -85.51 139.4 31.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -124.39 132.14 53.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -134.85 126.86 29.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.528 HG13 ' CE2' ' A' ' 144' ' ' PHE . 97.8 t -106.7 100.23 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.063 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.4 p -138.51 156.09 47.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -43.93 -56.78 3.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.11 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 65' ' ' ALA . 39.7 tp60 -37.45 -30.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . 142.76 -127.72 3.24 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.452 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 94.2 mt -144.84 128.25 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.38 . . . . 0.0 111.087 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 55.0 m -113.68 140.9 47.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 17.7 mt -132.28 131.23 41.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 20.7 m -124.17 126.35 46.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.461 ' CB ' HG11 ' A' ' 59' ' ' VAL . 19.2 t0 -111.86 -58.46 2.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 74.96 25.01 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -110.51 -25.38 10.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.417 ' HD3' ' CD1' ' A' ' 79' ' ' PHE . 16.8 mmm180 45.14 42.03 6.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -113.26 -43.01 3.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 23.4 mt -118.07 -40.42 2.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -161.58 133.44 5.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.417 ' CD1' ' HD3' ' A' ' 75' ' ' ARG . 10.2 t80 -93.95 171.49 8.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -41.73 136.49 1.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.503 ' HB3' ' CZ ' ' A' ' 83' ' ' TYR . 43.4 mtt180 -148.76 119.15 7.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -99.39 126.32 45.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.503 ' CZ ' ' HB3' ' A' ' 81' ' ' ARG . 10.0 m-85 -118.1 134.44 23.34 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.688 0.756 . . . . 0.0 110.928 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 146.49 60.72 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.724 2.282 . . . . 0.0 112.358 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.3 p -45.92 -27.08 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.143 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 87' ' ' SER . 58.2 m-20 -64.16 -63.08 1.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 86' ' ' ASN . 28.3 t -35.88 -59.31 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 29.3 mt -55.31 111.55 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.075 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 46.0 p -117.9 -47.04 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -119.73 138.01 53.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.8 t -160.73 112.0 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 m -161.35 156.6 24.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 94' ' ' ASP . 1.2 p -58.03 142.76 45.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.193 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.427 ' CG ' ' HD2' ' A' ' 95' ' ' PRO . 7.0 t70 -36.0 139.98 0.39 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.606 0.717 . . . . 0.0 110.823 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.444 ' HG2' ' NE2' ' A' ' 96' ' ' GLN . 54.1 Cg_endo -69.83 -37.04 9.55 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.659 2.239 . . . . 0.0 112.341 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.444 ' NE2' ' HG2' ' A' ' 95' ' ' PRO . 26.2 mp0 -80.58 -26.78 37.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.0 t70 65.2 37.1 6.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -65.45 159.2 24.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -101.35 127.79 47.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.472 ' CD1' ' CD2' ' A' ' 26' ' ' LEU . 33.9 t-105 -91.0 103.1 15.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 31.3 m -72.12 92.01 1.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.114 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -46.7 160.49 0.32 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.606 0.717 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 1.55 4.39 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 0.0 112.319 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -96.58 -39.22 9.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 129.29 26.7 0.87 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.466 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 34.2 p -130.25 151.41 50.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.9 0.381 . . . . 0.0 111.135 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 41.2 p -88.48 157.76 18.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 43.0 m -154.66 153.41 31.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.81 133.01 40.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.872 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 62.7 mt -99.47 122.85 51.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -140.05 164.63 29.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 175.95 162.86 27.66 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.415 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 3.9 p90 -115.36 176.82 4.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.924 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 22.5 t -123.85 103.74 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -109.55 142.15 41.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 33.5 mttm -70.38 153.15 43.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.438 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 7.6 ttmm -64.13 138.72 97.5 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.564 0.697 . . . . 0.0 110.906 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.438 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 53.5 Cg_endo -69.74 -2.33 9.97 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.365 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -117.91 -33.28 1.29 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.469 ' HB3' ' CE2' ' A' ' 122' ' ' TRP . 73.9 m -133.27 120.84 16.23 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.642 0.734 . . . . 0.0 110.865 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -19.12 36.8 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.676 2.25 . . . . 0.0 112.376 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . 0.469 ' CE2' ' HB3' ' A' ' 120' ' ' SER . 38.1 p90 -86.87 -16.34 36.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.401 ' CG ' ' CD1' ' A' ' 122' ' ' TRP . 17.4 mt-10 -101.7 116.43 32.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 31' ' ' THR . 5.3 m-80 -98.36 144.63 27.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 89.6 t -133.89 105.06 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 46.7 t -84.35 137.35 33.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -107.74 122.88 47.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 9.2 tp -81.84 146.41 29.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -152.34 172.06 17.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -149.96 159.21 44.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.067 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -60.54 115.11 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 7.4 tt -95.17 -45.69 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 10.8 p30 -108.96 138.6 20.4 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.643 0.735 . . . . 0.0 110.879 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -45.68 1.51 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.308 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.402 ' OD1' ' OE1' ' A' ' 136' ' ' GLN . 0.6 OUTLIER -48.4 -47.18 37.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . 0.402 ' OE1' ' OD1' ' A' ' 135' ' ' ASP . 7.4 mp0 -104.46 101.65 28.9 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.575 0.702 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 153.64 68.61 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.668 2.245 . . . . 0.0 112.332 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -47.15 -50.11 21.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.087 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -47.68 -58.64 6.61 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.523 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -42.65 -35.99 1.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.75 0.309 . . . . 0.0 111.114 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 58.9 mt -69.2 -73.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.137 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 6.4 m -48.34 -51.42 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 88.3 m -48.49 -60.71 2.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.186 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' PHE . . . . . 0.528 ' CE2' HG13 ' A' ' 63' ' ' VAL . 14.5 t80 -48.51 -51.6 26.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 64.2 mt -46.92 -57.42 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 28.8 p -61.69 -40.49 95.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -55.16 -39.64 69.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 74.8 t -92.58 -63.56 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.082 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.459 HD22 ' N ' ' A' ' 149' ' ' LEU . 1.2 mm? -48.81 -70.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 64.6 mt -62.82 -72.43 0.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 123.36 73.92 0.27 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.49 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -87.7 178.11 6.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 110.927 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . 0.42 ' HD3' ' N ' ' A' ' 154' ' ' LYS . 0.4 OUTLIER -111.66 175.54 5.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . 0.42 ' N ' ' HD3' ' A' ' 153' ' ' ARG . 6.8 mtpm? -35.38 120.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.95 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 6.9 t -109.17 -44.7 3.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.87 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -158.45 143.16 9.05 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.504 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 161.01 47.6 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.713 2.275 . . . . 0.0 112.353 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 58.4 m -111.69 -61.58 1.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 57.6 p -74.79 -51.44 14.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.831 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.542 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.4 p -171.65 119.56 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.359 . . . . 0.0 110.91 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.6 m -126.24 146.16 50.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.72 131.16 1.38 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.44 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -160.67 126.05 3.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.873 0.368 . . . . 0.0 110.818 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.9 m -137.08 157.02 47.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.2 141.42 4.58 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.459 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.04 150.41 44.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.775 0.321 . . . . 0.0 110.836 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.9 m -141.41 170.61 15.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 11' ' ' ALA . 39.5 p -88.87 76.87 7.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.114 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 10' ' ' THR . . . -37.89 -38.76 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.091 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -39.36 -67.81 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.095 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.67 -47.95 82.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 mp -41.11 -57.41 2.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.9 mt -47.84 -55.58 9.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.4 mtp85 -45.8 -25.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -93.31 -179.08 4.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.78 138.59 5.77 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.513 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.42 119.36 35.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 111.083 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.5 125.38 16.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.2 m -162.74 -178.01 5.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.415 ' C ' HD21 ' A' ' 132' ' ' LEU . 3.3 m -92.2 152.77 19.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.481 HG23 ' CD1' ' A' ' 129' ' ' PHE . 33.7 m -140.45 163.95 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.122 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.415 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 2.7 tm? -95.22 121.77 37.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -90.81 111.1 22.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.494 HD21 ' CD2' ' A' ' 100' ' ' TRP . 22.3 mt -80.05 -64.2 1.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.4 t -173.42 168.99 4.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.5 p -127.9 113.68 16.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.7 t -102.78 127.24 56.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.118 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -57.35 124.03 17.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.418 ' O ' ' ND2' ' A' ' 124' ' ' ASN . 71.9 p -118.98 34.82 5.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -47.8 -40.81 22.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.8 t -89.38 -34.87 16.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.428 HD11 ' CD ' ' A' ' 42' ' ' ARG . 2.6 mt -80.96 163.86 22.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -175.25 154.21 1.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.111 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.34 -149.01 30.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.533 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.423 ' HD3' ' CE2' ' A' ' 90' ' ' PHE . 54.2 Cg_endo -69.71 -7.29 20.67 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.37 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' A' ' 41' ' ' ALA . 15.7 tp60 -82.05 -65.56 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 38' ' ' GLN . . . -34.37 -41.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.2 t -64.63 -45.57 95.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 38' ' ' GLN . . . -62.99 -21.93 66.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.081 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.428 ' CD ' HD11 ' A' ' 34' ' ' LEU . 17.3 ttt85 -77.53 -57.92 3.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -38.86 -60.35 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.9 m -49.89 -50.2 46.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 m -51.63 -35.19 40.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.7 -29.02 24.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.104 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.36 -25.75 66.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.072 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.8 mt -93.87 -35.37 12.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.7 m -64.87 -53.07 52.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 30.2 t -43.91 137.34 3.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.51 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 37.1 p -149.27 132.4 8.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.685 0.755 . . . . 0.0 110.896 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.3 Cg_endo -69.74 149.51 88.65 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.674 -1.803 . . . . 0.0 112.323 0.012 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.9 ptp85 -40.69 145.27 0.54 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.646 0.736 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 146.75 61.09 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.693 2.262 . . . . 0.0 112.311 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.0 m -86.21 110.51 31.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.6 0.714 . . . . 0.0 111.131 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 172.83 11.95 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.667 2.244 . . . . 0.0 112.332 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.32 140.97 25.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.5 t -81.83 126.86 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.9 m -139.41 157.57 27.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -76.98 143.5 39.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -128.54 142.69 50.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -146.77 141.25 26.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.7 t -119.28 113.26 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.0 t -140.65 178.65 7.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.826 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.01 -36.97 75.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.102 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -63.75 -10.39 19.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 120.66 -157.03 15.95 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.516 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.452 HG12 ' CD1' ' A' ' 88' ' ' ILE . 14.2 mm -92.91 149.44 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 111.139 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 m -133.37 117.26 17.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.48 128.93 54.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 94.1 m -135.73 135.01 39.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -122.17 159.82 26.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -112.89 -15.6 12.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -80.31 -33.26 37.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 59.56 36.26 22.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.9 mmmt -81.73 -63.44 1.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.9 mt -80.77 -48.29 12.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -162.34 178.38 8.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 80' ' ' ARG . 16.9 t80 -113.89 173.0 6.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 79' ' ' PHE . 7.7 ptm180 -34.53 143.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -157.99 140.09 14.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -102.69 138.98 38.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -111.8 125.62 29.99 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.629 0.728 . . . . 0.0 110.96 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.491 ' O ' ' N ' ' A' ' 86' ' ' ASN . 53.7 Cg_endo -69.74 122.49 9.17 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.718 2.279 . . . . 0.0 112.327 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 84' ' ' PRO . 7.7 p -36.57 -29.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' A' ' 84' ' ' PRO . 11.2 m120 -63.44 -50.98 67.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.7 p -44.04 -51.62 7.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.452 ' CD1' HG12 ' A' ' 68' ' ' ILE . 13.5 mt -59.01 123.92 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.116 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.463 ' O ' ' CD2' ' A' ' 150' ' ' LEU . 37.3 p -124.92 -44.24 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.423 ' CE2' ' HD3' ' A' ' 37' ' ' PRO . 29.5 t80 -137.54 125.57 22.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.5 t -141.0 115.36 9.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.4 t -166.92 148.13 5.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.7 p -47.49 151.85 0.73 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -60.51 138.79 92.61 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.582 0.706 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -27.95 26.12 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -67.7 -29.08 68.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 22.7 t0 59.52 37.55 22.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.4 mtp85 -84.55 164.02 18.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -109.12 149.48 29.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.494 ' CD2' HD21 ' A' ' 26' ' ' LEU . 67.4 t-105 -113.68 110.96 21.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.1 m -73.94 90.89 1.97 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.135 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -41.8 155.47 0.23 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.616 0.722 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -3.1 11.34 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.715 2.277 . . . . 0.0 112.36 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -95.69 -40.5 9.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 132.14 60.6 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.536 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.1 t -166.19 158.13 13.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.898 0.38 . . . . 0.0 111.104 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 72.9 p -101.59 156.32 17.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 45.8 m -154.63 157.41 38.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -80.14 128.39 33.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 89.1 mt -81.58 143.81 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.561 ' CD1' ' HB3' ' A' ' 138' ' ' ALA . 4.3 p90 -160.17 164.24 33.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 179.35 170.54 41.32 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.433 ' CE2' ' HB1' ' A' ' 115' ' ' ALA . 3.6 p90 -134.99 158.56 44.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.885 0.374 . . . . 0.0 110.883 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t -107.56 107.16 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.433 ' HB1' ' CE2' ' A' ' 113' ' ' PHE . . . -118.04 157.35 26.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.059 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 58.9 mttt -64.8 144.13 57.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -61.72 135.99 94.54 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.605 0.717 . . . . 0.0 110.868 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -1.48 8.56 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.716 2.278 . . . . 0.0 112.309 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -121.41 -19.49 3.47 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.432 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.417 ' HA ' ' HD2' ' A' ' 121' ' ' PRO . 4.7 m -144.85 105.09 4.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.704 0.764 . . . . 0.0 110.875 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 120' ' ' SER . 53.5 Cg_endo -69.75 -4.5 14.15 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.731 2.287 . . . . 0.0 112.339 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 5.9 p90 -96.08 9.26 41.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -137.04 170.6 15.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 31' ' ' THR . 5.1 p30 -142.46 132.61 24.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -135.08 127.76 48.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.113 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 31.3 t -83.92 160.05 21.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -130.64 93.77 3.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.43 ' HG ' ' CD1' ' A' ' 26' ' ' LEU . 8.9 tp -49.78 156.86 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.496 ' HB3' ' CE1' ' A' ' 111' ' ' PHE . 17.7 m-85 -160.14 172.42 17.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -152.23 144.57 24.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.089 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.98 97.68 1.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.465 HD21 ' N ' ' A' ' 23' ' ' VAL . 0.6 OUTLIER -78.51 -24.28 45.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -105.39 119.53 52.55 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.595 0.712 . . . . 0.0 110.893 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -13.03 34.26 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.711 2.274 . . . . 0.0 112.345 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -68.22 -25.95 65.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -145.76 117.39 5.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.55 0.69 . . . . 0.0 110.953 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 162.12 43.31 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.643 2.229 . . . . 0.0 112.324 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.561 ' HB3' ' CD1' ' A' ' 111' ' ' PHE . . . -61.23 -45.28 95.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -46.11 -56.2 7.06 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.456 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -48.36 -33.55 9.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.768 0.318 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 40.0 mt -74.46 -72.86 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 6.3 m -43.7 -38.99 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 55.3 m -61.74 -48.1 82.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.159 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -62.52 -25.01 67.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 67.5 mt -70.87 -71.92 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -50.25 -38.36 40.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -55.39 -43.69 75.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 96.4 t -94.59 -63.08 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -51.24 -57.68 8.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . 0.463 ' CD2' ' O ' ' A' ' 89' ' ' THR . 8.2 mt -85.24 11.62 9.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -90.06 -97.55 1.13 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.484 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -129.65 -67.69 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.772 0.32 . . . . 0.0 110.91 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -49.96 141.74 10.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -120.29 -44.2 2.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 8.7 t -144.17 166.97 23.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -143.66 -98.05 0.26 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.508 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 144.93 55.65 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.723 2.282 . . . . 0.0 112.332 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 51.8 p -62.45 134.43 56.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.2 t -86.43 90.26 8.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 15' ' ' LEU . 16.6 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.816 0.341 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.448 ' CZ ' ' HB3' ' A' ' 16' ' ' ARG . 9.0 mtp-105 -39.41 -38.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.414 ' O ' ' CZ ' ' A' ' 144' ' ' PHE . 27.2 mm-40 -94.59 130.22 41.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -140.66 142.47 12.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.22 121.4 36.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.783 0.325 . . . . 0.0 111.114 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.85 120.13 11.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.1 m -165.55 -178.67 5.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.829 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.478 ' HB2' ' CD2' ' A' ' 132' ' ' LEU . 5.5 m -82.37 144.53 30.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.2 m -127.32 178.09 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.078 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.604 HD11 ' HB2' ' A' ' 56' ' ' PRO . 3.2 tm? -109.21 110.79 22.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -78.75 108.81 12.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.568 HD11 ' HB2' ' A' ' 130' ' ' ALA . 85.6 mt -81.65 -72.96 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.966 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.444 ' O ' ' CB ' ' A' ' 128' ' ' LEU . 15.2 t -174.04 155.17 2.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 p -118.82 133.35 55.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 55.9 t -120.77 140.04 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -72.92 125.02 26.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.802 HG21 ' HB1' ' A' ' 39' ' ' ALA . 64.8 p -110.54 34.87 3.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 31' ' ' THR . 2.2 pt-20 -34.64 -43.85 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.4 t -100.39 -33.25 10.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -74.83 153.51 38.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.926 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 t -171.23 169.61 6.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.34 -155.3 53.01 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -4.56 14.29 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.655 2.236 . . . . 0.0 112.363 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -86.88 -49.61 7.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.932 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.802 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -45.39 -45.08 12.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.2 t -61.43 -30.59 48.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.47 -39.49 67.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.9 ttt85 -56.65 -66.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -38.4 -49.17 1.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.084 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.9 m -54.49 -49.49 70.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.4 t -62.76 -37.25 85.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.826 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.5 -16.17 58.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.09 -32.36 56.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.697 HD11 ' HG2' ' A' ' 98' ' ' ARG . 4.3 mt -97.88 -27.82 14.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.977 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 m -64.2 -52.27 59.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 50.1 t -71.65 137.42 47.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.493 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 1.5 m -139.22 160.79 60.8 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.619 0.724 . . . . 0.0 110.888 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.4 Cg_endo -69.84 155.12 93.63 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.3 0.07 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 52' ' ' PRO . 2.8 ppt_? -34.26 144.32 0.19 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.559 0.695 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 160.02 51.26 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.715 2.277 . . . . 0.0 112.32 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.3 m -103.69 94.31 6.06 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.544 0.688 . . . . 0.0 111.184 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.604 ' HB2' HD11 ' A' ' 24' ' ' LEU . 54.2 Cg_endo -69.73 153.03 69.57 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.653 2.236 . . . . 0.0 112.371 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.666 ' HB1' ' OE1' ' A' ' 74' ' ' GLN . . . -131.13 156.47 45.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.0 m -84.6 133.6 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.4 m -140.62 -175.69 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.167 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.431 ' N ' ' O ' ' A' ' 71' ' ' THR . 57.9 t-80 -104.0 148.53 26.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -136.33 131.21 34.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -136.6 133.0 35.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.4 t -107.05 108.23 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.6 m -133.06 156.25 47.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.91 -21.28 28.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.07 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -76.04 -3.35 35.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 124.79 -129.71 7.16 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.406 HG13 HD13 ' A' ' 88' ' ' ILE . 94.2 mt -137.88 121.76 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.378 . . . . 0.0 111.092 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.702 HG23 ' HB2' ' A' ' 82' ' ' HIS . 21.3 m -111.64 140.78 45.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.91 146.91 52.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 60' ' ' HIS . 44.3 m -148.93 131.52 15.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -110.05 171.03 7.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -126.92 10.23 6.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.666 ' OE1' ' HB1' ' A' ' 57' ' ' ALA . 12.2 pt20 -97.02 -34.03 11.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.429 ' NH1' ' HB2' ' A' ' 75' ' ' ARG . 25.8 mtm105 62.13 49.46 4.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.442 ' CE ' ' HA ' ' A' ' 76' ' ' LYS . 2.3 mmpt? -109.14 -70.62 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.6 mt -80.99 -28.99 35.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.931 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -169.28 172.53 7.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -108.84 -60.0 1.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.4 ' HE ' HG21 ' A' ' 71' ' ' THR . 74.0 mtt180 -151.29 124.98 9.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -142.5 143.83 32.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.702 ' HB2' HG23 ' A' ' 69' ' ' THR . 10.0 t60 -146.61 152.07 38.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -120.02 143.98 36.59 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.671 0.748 . . . . 0.0 110.918 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 153.96 68.04 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.626 2.217 . . . . 0.0 112.338 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.699 HG23 HD13 ' A' ' 149' ' ' LEU . 7.2 p -68.41 -19.71 24.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -75.21 -1.55 23.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.0 p -105.44 -63.96 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.406 HD13 HG13 ' A' ' 68' ' ' ILE . 24.5 mt -47.1 111.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.72 -26.89 8.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' ' 91' ' ' SER . 16.7 t80 -134.75 149.72 50.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.445 ' O ' ' CG2' ' A' ' 146' ' ' THR . 31.2 t -174.5 116.27 0.19 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.0 t -174.24 149.56 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.864 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.48 HG23 HG21 ' A' ' 142' ' ' VAL . 0.8 OUTLIER -44.01 142.66 1.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.111 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.484 ' OD2' ' N ' ' A' ' 97' ' ' ASP . 0.5 OUTLIER -49.1 139.18 13.07 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.629 0.728 . . . . 0.0 110.852 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -38.75 7.48 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.741 2.294 . . . . 0.0 112.378 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -64.0 -7.63 9.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.484 ' N ' ' OD2' ' A' ' 94' ' ' ASP . 17.5 t70 47.34 38.74 7.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.697 ' HG2' HD11 ' A' ' 48' ' ' LEU . 6.5 tpt180 -77.56 160.81 28.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.435 ' NH1' ' HD3' ' A' ' 109' ' ' LYS . 31.5 mmt180 -118.68 149.79 40.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 56.6 t-105 -110.69 104.36 13.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.0 m -71.05 96.16 1.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.173 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -52.66 158.41 2.15 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.597 0.713 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 0.98 4.86 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.314 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -92.79 -24.13 18.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 112.42 42.67 0.95 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.475 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 15.4 t -153.85 155.69 36.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.877 0.37 . . . . 0.0 111.125 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 40.9 p -102.48 153.64 19.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.5 m -142.87 149.07 38.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.435 ' HD3' ' NH1' ' A' ' 99' ' ' ARG . 12.2 tptm -66.7 128.11 35.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 61.8 mt -89.35 135.28 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -147.23 152.06 37.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.16 169.38 41.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -132.21 171.47 13.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.906 0.384 . . . . 0.0 110.886 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.4 t -123.4 126.2 72.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.156 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -139.6 163.35 32.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.085 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.88 133.03 34.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.474 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 4.4 ttmm -47.22 140.46 6.89 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.609 0.718 . . . . 0.0 110.881 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 53.5 Cg_endo -69.73 -12.96 34.04 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.714 2.276 . . . . 0.0 112.345 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -106.28 -19.82 9.68 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.509 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 29.8 m -149.51 118.3 3.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.693 0.759 . . . . 0.0 110.861 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -29.63 23.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.689 2.259 . . . . 0.0 112.387 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.409 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 33.8 p90 -78.9 -6.27 55.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.409 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 30.2 mt-10 -108.43 116.78 32.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 124' ' ' ASN . 0.3 OUTLIER -99.12 146.95 25.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -153.28 119.89 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.41 ' SG ' ' CG2' ' A' ' 31' ' ' THR . 7.4 p -89.64 149.16 22.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -115.98 115.05 25.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.444 ' CB ' ' O ' ' A' ' 27' ' ' THR . 8.8 tp -82.01 140.12 34.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -140.79 166.16 25.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.568 ' HB2' HD11 ' A' ' 26' ' ' LEU . . . -138.0 157.76 45.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -66.82 125.44 25.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.478 ' CD2' ' HB2' ' A' ' 22' ' ' SER . 7.1 tp -99.81 -52.99 3.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.921 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -115.55 147.47 38.91 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.621 0.724 . . . . 0.0 110.866 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -45.39 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.663 2.242 . . . . 0.0 112.364 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -43.56 -47.94 7.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -112.81 84.01 6.32 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 156.73 62.65 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.701 2.267 . . . . 0.0 112.357 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.65 ' O ' HG22 ' A' ' 142' ' ' VAL . . . -51.24 -49.74 60.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -49.69 -42.38 36.31 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.518 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -70.95 -21.46 62.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.742 0.306 . . . . 0.0 111.087 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 68.2 mt -83.94 -69.08 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.098 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.65 HG22 ' O ' ' A' ' 138' ' ' ALA . 2.0 m -47.23 -44.11 8.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 21.8 m -51.71 -63.27 1.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' PHE . . . . . 0.414 ' CZ ' ' O ' ' A' ' 17' ' ' GLN . 20.0 t80 -42.53 -37.42 1.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 45.7 mt -65.86 -59.2 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.11 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' THR . . . . . 0.698 ' HA ' HD13 ' A' ' 150' ' ' LEU . 50.6 p -58.81 -15.36 11.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -84.41 -43.56 14.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.958 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 53.1 t -94.81 -70.4 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.699 HD13 HG23 ' A' ' 85' ' ' VAL . 3.9 mm? -38.72 -59.96 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.698 HD13 ' HA ' ' A' ' 146' ' ' THR . 6.1 mp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.5 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.83 0.348 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -38.47 -46.33 1.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -64.95 -50.92 64.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.04 137.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.11 120.53 31.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.831 0.348 . . . . 0.0 111.126 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.77 124.8 12.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.065 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.0 p -160.11 177.65 10.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.6 m -90.53 135.21 33.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.408 HG13 ' HB2' ' A' ' 61' ' ' PHE . 35.2 m -118.78 167.85 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.137 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.474 ' C ' HD13 ' A' ' 24' ' ' LEU . 3.1 tm? -100.99 113.6 26.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -83.05 103.47 12.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.633 HD12 ' HG ' ' A' ' 128' ' ' LEU . 52.9 mt -75.01 -72.92 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.957 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.8 t -165.78 -179.79 5.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.3 m -141.58 122.34 14.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.3 t -116.53 152.51 18.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.131 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -75.35 125.09 28.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 78.3 p -121.59 37.54 4.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.109 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -44.65 -46.61 10.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.26 -26.75 18.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.734 HD13 ' HB3' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -81.0 152.34 28.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.865 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 7.8 t -167.91 -175.68 2.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.427 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . 45.25 -144.25 2.95 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.402 ' HD2' ' HA3' ' A' ' 36' ' ' GLY . 53.6 Cg_endo -69.75 -1.85 9.17 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.734 ' HB3' HD13 ' A' ' 34' ' ' LEU . 11.9 mt-30 -86.35 -46.98 9.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.72 -53.23 60.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.068 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.6 t -57.99 -35.93 54.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.141 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.619 ' HB2' ' HG3' ' A' ' 95' ' ' PRO . . . -73.27 -29.34 62.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.093 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -69.24 -64.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.23 -58.12 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.491 ' HA ' HD21 ' A' ' 128' ' ' LEU . 1.2 p -55.85 -49.12 74.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.0 t -51.73 -44.53 63.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 48' ' ' LEU . . . -71.87 -58.93 3.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.112 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -38.04 -26.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 46' ' ' ALA . 13.4 mt -99.22 -43.58 6.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.1 t -66.45 -53.72 32.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -67.55 148.57 51.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.509 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 1.2 p -149.56 159.55 36.11 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.666 0.746 . . . . 0.0 110.888 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.7 Cg_endo -69.82 167.32 71.63 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.623 -1.824 . . . . 0.0 112.353 0.021 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.04 143.06 98.26 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.622 0.725 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 164.12 35.71 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.721 2.281 . . . . 0.0 112.331 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 99.7 m -99.47 102.33 16.1 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.627 0.727 . . . . 0.0 111.187 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 171.17 14.91 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.695 2.263 . . . . 0.0 112.358 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.67 153.44 38.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.1 t -83.64 131.6 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.159 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.589 HG12 ' CG ' ' A' ' 72' ' ' ASP . 25.6 m -142.08 173.59 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -93.59 150.04 20.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.408 ' HB2' HG13 ' A' ' 23' ' ' VAL . 16.6 t80 -135.05 139.15 44.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -150.87 150.2 30.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.3 t -134.75 117.03 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 t -142.77 -179.42 6.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.86 -14.66 35.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.08 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -91.48 14.87 13.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.71 -146.17 18.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.46 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.422 HG13 ' CD1' ' A' ' 88' ' ' ILE . 67.9 mt -103.78 142.52 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 111.147 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 54.5 m -133.98 136.1 43.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.175 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.4 mt -132.09 148.73 52.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.0 m -140.0 116.67 10.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.097 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.589 ' CG ' HG12 ' A' ' 59' ' ' VAL . 23.6 t0 -108.53 121.99 46.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -91.93 10.05 30.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -101.83 -18.41 15.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 52.8 mtt85 43.73 50.08 6.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.459 ' CE ' ' HA ' ' A' ' 76' ' ' LYS . 2.5 mmpt? -102.62 -63.33 1.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.483 HD22 ' N ' ' A' ' 77' ' ' LEU . 3.3 mm? -97.56 -47.45 5.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.525 ' CE1' HG11 ' A' ' 59' ' ' VAL . 22.7 p90 -147.77 121.19 9.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 79' ' ' PHE . 1.8 t80 -63.55 -72.43 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 32.3 ttt85 -145.54 122.52 11.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -124.85 135.05 52.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -120.07 122.85 42.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -111.35 127.93 26.14 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.707 0.765 . . . . 0.0 110.937 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.417 ' HG2' ' CB ' ' A' ' 87' ' ' SER . 54.1 Cg_endo -69.71 143.73 52.02 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.812 HG23 HD13 ' A' ' 149' ' ' LEU . 2.8 p -47.57 -45.56 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' A' ' 87' ' ' SER . 17.4 t30 -55.08 -61.98 1.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 86' ' ' ASN . 13.6 t -36.06 -40.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.824 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.422 ' CD1' HG13 ' A' ' 68' ' ' ILE . 69.2 mt -79.27 123.82 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 37.4 p -125.25 -24.3 4.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -139.33 138.5 36.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.472 ' O ' ' CG2' ' A' ' 146' ' ' THR . 4.1 t -165.98 112.3 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.6 t -161.88 149.67 14.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.716 ' N ' HG11 ' A' ' 142' ' ' VAL . 1.1 p -47.83 162.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -67.06 140.28 95.84 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.652 0.739 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.619 ' HG3' ' HB2' ' A' ' 41' ' ' ALA . 53.8 Cg_endo -69.71 -42.25 3.63 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.72 2.28 . . . . 0.0 112.327 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -63.49 -15.42 57.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 51.75 30.42 6.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? -69.75 156.35 39.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 -107.67 138.06 44.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 35.0 t-105 -100.64 123.27 44.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 22.6 m -81.0 100.8 9.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -54.45 151.79 13.4 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.657 0.741 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 2.38 3.58 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.341 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -99.17 -25.37 14.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 115.31 58.3 0.35 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.2 t -167.82 149.77 5.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.905 0.383 . . . . 0.0 111.127 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 46.5 p -94.88 150.18 20.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.9 m -146.99 169.48 19.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 68.6 tttt -86.42 148.57 25.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 75.2 mt -103.17 142.7 16.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.485 ' HB3' ' HB1' ' A' ' 138' ' ' ALA . 5.9 p90 -160.93 166.91 27.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 177.5 -170.22 42.6 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.487 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -148.86 166.43 28.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.9 0.381 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.7 t -116.38 114.19 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -118.26 153.72 33.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -80.64 145.8 31.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.52 ' HG3' HG23 ' A' ' 125' ' ' VAL . 20.2 mtpt -64.8 148.37 97.32 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 0.0 110.902 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -33.02 17.43 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.687 2.258 . . . . 0.0 112.355 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -103.23 -21.69 9.8 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.486 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 56.0 m -119.15 83.9 25.89 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.639 0.733 . . . . 0.0 110.894 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -2.11 9.64 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.665 2.243 . . . . 0.0 112.303 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 6.8 p90 -103.13 -4.74 24.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -115.23 165.15 13.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -127.12 141.95 51.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.52 HG23 ' HG3' ' A' ' 117' ' ' LYS . 48.5 t -135.13 115.16 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 42.8 t -95.9 144.52 26.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -117.15 127.06 53.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.633 ' HG ' HD12 ' A' ' 26' ' ' LEU . 10.2 tp -86.91 140.22 29.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -145.16 172.52 12.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.426 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -147.67 137.45 22.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.435 ' O ' ' CD ' ' A' ' 131' ' ' GLU . 3.0 pp20? -52.49 115.17 1.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 10.3 tt -83.15 -57.16 3.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.409 ' CG ' ' HD2' ' A' ' 134' ' ' PRO . 4.7 t70 -92.23 143.33 27.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.523 0.677 . . . . 0.0 110.866 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.409 ' HD2' ' CG ' ' A' ' 133' ' ' ASP . 54.1 Cg_endo -69.75 -48.37 0.74 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.647 2.231 . . . . 0.0 112.356 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.52 -39.47 34.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.832 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -118.86 82.07 20.23 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.711 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 178.02 4.95 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.722 2.281 . . . . 0.0 112.367 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.82 ' HA ' HD12 ' A' ' 141' ' ' ILE . . . -64.24 -48.88 74.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.083 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -48.88 -46.54 31.99 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.464 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.58 -23.95 67.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.811 0.339 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.82 HD12 ' HA ' ' A' ' 138' ' ' ALA . 41.0 mt -79.03 -72.01 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.716 HG11 ' N ' ' A' ' 93' ' ' THR . 3.1 m -39.52 -43.92 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.44 ' O ' ' CG ' ' A' ' 147' ' ' LYS . 98.9 m -58.27 -55.01 40.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' PHE . . . . . 0.42 ' O ' HG12 ' A' ' 148' ' ' VAL . 48.3 t80 -55.52 -27.67 50.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.448 HG23 ' HG ' ' A' ' 149' ' ' LEU . 60.7 mt -75.7 -71.77 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' THR . . . . . 0.593 ' HA ' HD13 ' A' ' 150' ' ' LEU . 16.2 p -47.92 -20.51 0.32 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 143' ' ' THR . 21.8 mmtt -72.31 -52.61 15.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.581 HG13 ' N ' ' A' ' 149' ' ' LEU . 8.6 p -91.7 -49.97 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.093 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.812 HD13 HG23 ' A' ' 85' ' ' VAL . 3.9 mm? -52.92 -63.92 0.99 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.593 HD13 ' HA ' ' A' ' 146' ' ' THR . 6.5 mp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.538 HD21 ' HB2' ' A' ' 65' ' ' ALA . 8.0 mp . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.777 0.323 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.1 mtp85 -45.13 -47.41 12.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -68.34 -55.52 11.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.07 127.0 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.444 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.65 119.37 37.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.829 0.347 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.423 ' HB2' ' HG3' ' A' ' 62' ' ' LYS . . . -145.07 122.61 11.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.2 t -152.42 170.6 19.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.9 t -80.0 133.04 36.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.826 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.5 m -119.44 176.62 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.12 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.613 ' C ' HD13 ' A' ' 24' ' ' LEU . 3.3 tm? -106.96 116.75 32.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.952 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -85.1 121.38 27.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.448 HD21 ' HB2' ' A' ' 130' ' ' ALA . 13.0 mt -93.9 -70.09 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.4 t -169.38 172.85 6.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.3 p -135.81 122.72 21.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.3 t -104.82 149.42 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -73.59 118.99 17.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.687 HG21 ' HB1' ' A' ' 39' ' ' ALA . 52.2 p -113.63 40.84 2.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -42.66 -48.1 5.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.0 t -101.15 -22.95 14.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.691 HD12 ' HA ' ' A' ' 39' ' ' ALA . 0.4 OUTLIER -70.58 137.26 49.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 75.5 p -153.35 153.0 31.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.176 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.99 -142.72 29.98 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -25.13 28.73 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.71 2.274 . . . . 0.0 112.335 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.68 ' HB3' HD13 ' A' ' 34' ' ' LEU . 33.6 mt-30 -58.75 -50.57 73.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.691 ' HA ' HD12 ' A' ' 34' ' ' LEU . . . -50.82 -57.64 7.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.8 t -53.96 -39.61 41.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.624 ' HB2' ' HG3' ' A' ' 95' ' ' PRO . . . -68.93 -31.61 70.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.074 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.4 ttt85 -70.92 -58.8 3.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.645 ' HB2' ' SG ' ' A' ' 126' ' ' CYS . . . -42.32 -42.6 3.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.403 ' OG ' HD11 ' A' ' 128' ' ' LEU . 73.1 m -72.38 -54.64 8.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.7 m -43.92 -33.69 1.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 48' ' ' LEU . . . -82.81 -63.05 1.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.128 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -38.17 -26.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.104 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 46' ' ' ALA . 3.8 mt -99.22 -41.47 7.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 38.3 t -68.0 -53.55 25.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -67.14 148.21 52.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.533 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 6.2 m -145.95 156.62 51.3 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.648 0.737 . . . . 0.0 110.85 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.9 Cg_endo -69.75 176.02 34.21 Favored 'Cis proline' 0 C--N 1.341 0.139 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.315 -0.021 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.446 ' HD2' ' CH2' ' A' ' 100' ' ' TRP . 7.0 mtm105 -69.6 140.5 89.64 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.622 0.725 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 152.45 69.36 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.67 2.246 . . . . 0.0 112.34 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 47.9 m -87.78 110.03 31.65 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.589 0.709 . . . . 0.0 111.139 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 170.75 15.87 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.68 2.253 . . . . 0.0 112.381 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.0 144.36 22.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.538 HG12 HD12 ' A' ' 132' ' ' LEU . 6.6 m -82.66 133.81 28.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.7 m -144.42 165.82 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -79.85 153.5 29.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.824 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -144.99 133.65 22.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.423 ' HG3' ' HB2' ' A' ' 20' ' ' ALA . 16.4 ttpp -138.1 156.82 47.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.1 t -134.82 122.49 38.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.3 t -143.44 177.94 8.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.538 ' HB2' HD21 ' A' ' 15' ' ' LEU . . . -70.38 -27.64 64.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -72.01 -16.89 62.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 133.0 -134.48 7.56 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.5 mm -119.92 149.18 22.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.929 0.395 . . . . 0.0 111.104 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.2 m -138.66 116.39 11.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.174 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 18.9 mt -111.52 139.44 46.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 59.3 m -125.13 140.66 52.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.544 ' OD1' ' CZ ' ' A' ' 78' ' ' PHE . 7.6 m-20 -121.99 135.32 54.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -105.61 -45.29 4.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -65.89 -23.12 66.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 56.25 47.43 19.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt -89.2 -56.53 3.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -94.31 -45.89 7.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.544 ' CZ ' ' OD1' ' A' ' 72' ' ' ASP . 47.6 p90 -151.26 173.45 14.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -107.04 -74.05 0.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -135.97 141.56 44.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -155.41 119.94 4.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -115.07 127.65 55.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -118.75 143.21 33.13 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.677 0.751 . . . . 0.0 110.947 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -169.75 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.321 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.602 HG23 ' CD1' ' A' ' 149' ' ' LEU . 10.9 p -97.01 -17.73 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.158 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -77.19 -30.89 54.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.826 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.4 t -63.17 -47.06 84.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.0 mt -72.38 116.53 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.132 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.418 ' O ' HD11 ' A' ' 150' ' ' LEU . 17.3 p -111.17 -45.75 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -127.99 136.92 51.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.499 ' O ' ' CG2' ' A' ' 146' ' ' THR . 11.8 t -156.56 114.2 3.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.908 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.0 t -162.23 147.02 12.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.826 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.599 ' N ' HG11 ' A' ' 142' ' ' VAL . 2.6 p -44.04 169.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.133 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -63.53 133.46 95.52 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.651 0.738 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.624 ' HG3' ' HB2' ' A' ' 41' ' ' ALA . 53.7 Cg_endo -69.78 -23.47 30.67 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.729 2.286 . . . . 0.0 112.342 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -83.52 -14.71 51.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 57.54 30.12 18.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -73.77 159.54 32.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.82 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.9 mmt85 -113.2 148.49 35.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.446 ' CH2' ' HD2' ' A' ' 53' ' ' ARG . 57.8 t-105 -109.35 119.19 38.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 59.5 m -78.71 91.69 4.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -47.0 160.08 0.35 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.633 0.73 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 0.33 5.83 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.666 2.244 . . . . 0.0 112.358 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -93.8 -33.41 13.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 121.13 42.49 0.47 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.44 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.7 t -149.87 155.18 39.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.342 . . . . 0.0 111.172 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 25.3 p -94.41 156.24 16.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.0 p -153.24 150.83 29.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.44 ' HB3' ' CD ' ' A' ' 131' ' ' GLU . 33.4 tttt -73.01 134.89 44.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 25.4 mt -94.73 137.86 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.506 ' HB3' HG22 ' A' ' 93' ' ' THR . 11.8 p90 -151.71 151.22 31.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -162.76 172.38 38.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.466 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -134.2 157.65 45.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.893 0.377 . . . . 0.0 110.841 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 1.9 t -111.76 114.66 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.157 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -124.19 160.63 27.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -81.29 140.48 34.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.442 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 49.0 tttt -56.97 139.19 78.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.592 0.711 . . . . 0.0 110.896 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.442 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 53.6 Cg_endo -69.84 -8.16 22.9 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 2.27 . . . . 0.0 112.317 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -119.66 -35.23 0.93 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.518 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.2 m -119.15 98.13 50.69 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.659 0.742 . . . . 0.0 110.853 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.415 ' HD2' ' CZ3' ' A' ' 122' ' ' TRP . 53.9 Cg_endo -69.76 -8.49 23.74 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.671 2.247 . . . . 0.0 112.391 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.586 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 29.0 p90 -98.34 16.35 21.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.586 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 43.1 mt-10 -145.7 133.05 20.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -105.13 143.17 33.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 2.4 t -133.53 131.86 57.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.645 ' SG ' ' HB2' ' A' ' 43' ' ' ALA . 15.7 p -102.17 147.56 26.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -122.23 110.93 16.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.794 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.549 ' O ' ' CD1' ' A' ' 129' ' ' PHE . 6.6 tp -75.47 150.89 38.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 128' ' ' LEU . 28.2 m-85 -152.36 171.5 17.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.448 ' HB2' HD21 ' A' ' 26' ' ' LEU . . . -139.58 165.96 25.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.058 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.44 ' CD ' ' HB3' ' A' ' 109' ' ' LYS . 98.2 mt-10 -75.63 110.14 9.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.538 HD12 HG12 ' A' ' 58' ' ' VAL . 9.6 tt -80.57 -45.1 17.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.515 ' OD1' HD23 ' A' ' 132' ' ' LEU . 80.1 m-20 -122.21 146.59 47.21 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.599 0.714 . . . . 0.0 110.891 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -42.87 3.04 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -45.95 -48.89 16.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -111.0 86.47 6.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.599 0.714 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 161.57 45.43 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.676 2.25 . . . . 0.0 112.354 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.777 ' HA ' HD12 ' A' ' 141' ' ' ILE . . . -56.08 -48.46 76.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.083 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -51.13 -42.08 47.82 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.521 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.27 -21.54 66.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.752 0.311 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.777 HD12 ' HA ' ' A' ' 138' ' ' ALA . 34.1 mt -83.46 -73.28 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.599 HG11 ' N ' ' A' ' 93' ' ' THR . 3.4 m -40.66 -46.74 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.094 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 4.9 m -51.11 -63.83 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' PHE . . . . . 0.405 ' C ' ' CD1' ' A' ' 144' ' ' PHE . 6.1 t80 -53.68 -40.78 66.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 32.3 mt -54.52 -72.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' THR . . . . . 0.593 ' CB ' HD23 ' A' ' 150' ' ' LEU . 6.4 p -54.76 -36.59 65.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.403 ' NZ ' ' HB3' ' A' ' 147' ' ' LYS . 0.8 OUTLIER -45.43 -60.96 1.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.804 HG13 ' CD2' ' A' ' 149' ' ' LEU . 5.0 p -81.58 -37.46 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.136 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.804 ' CD2' HG13 ' A' ' 148' ' ' VAL . 1.0 OUTLIER -70.22 -71.07 0.26 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.593 HD23 ' CB ' ' A' ' 146' ' ' THR . 2.3 mm? . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.5 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.848 0.356 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.3 mtp180 -46.89 -23.35 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -90.04 -56.03 3.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.26 155.16 1.81 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.529 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.95 123.55 40.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 111.078 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.58 ' HB2' ' HD2' ' A' ' 62' ' ' LYS . . . -146.95 121.08 9.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.058 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.0 t -160.83 171.71 18.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.5 m -86.28 136.26 33.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.1 m -125.14 169.08 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.161 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.606 ' C ' HD13 ' A' ' 24' ' ' LEU . 3.3 tm? -105.23 111.6 24.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -76.73 129.43 36.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.8 mt -98.6 -65.86 0.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.0 t -174.33 -179.88 1.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.1 p -138.12 115.57 11.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.554 HG21 ' HA ' ' A' ' 43' ' ' ALA . 85.4 t -106.82 105.58 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -46.28 128.34 9.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.729 HG21 ' HB1' ' A' ' 39' ' ' ALA . 46.8 p -117.16 37.28 3.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.169 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 31' ' ' THR . 6.5 pt-20 -35.09 -43.85 0.22 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.2 t -94.56 -42.52 8.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -68.45 158.33 33.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.409 ' N ' ' HB2' ' A' ' 39' ' ' ALA . 6.7 t -174.5 162.71 3.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.7 -155.54 37.39 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.533 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -11.19 30.32 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -84.07 -46.02 12.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.729 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -49.19 -34.33 14.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.9 t -66.99 -40.48 85.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.454 ' HB1' HE22 ' A' ' 96' ' ' GLN . . . -64.12 -48.41 76.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -44.32 -58.03 3.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.554 ' HA ' HG21 ' A' ' 29' ' ' VAL . . . -49.63 -40.96 41.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.0 m -64.6 -46.41 82.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 m -63.01 -42.11 99.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.02 -31.96 61.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.8 -32.37 72.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.3 mt -92.36 -40.51 10.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.0 t -67.22 -53.17 32.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 43.2 t -52.38 140.82 21.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.546 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 10.7 m -147.71 153.52 43.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.613 0.721 . . . . 0.0 110.897 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 51' ' ' SER . 54.2 Cg_endo -69.77 138.33 48.54 Favored 'Cis proline' 0 C--O 1.231 0.167 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.351 -0.059 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 52' ' ' PRO . 12.1 ptt85 -33.82 141.25 0.23 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.651 0.739 . . . . 0.0 110.876 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 167.98 22.87 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.72 2.28 . . . . 0.0 112.315 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 84.7 m -107.0 109.76 63.25 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.588 0.708 . . . . 0.0 111.139 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.482 ' HB2' HD11 ' A' ' 24' ' ' LEU . 53.1 Cg_endo -69.84 174.94 8.83 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.679 2.252 . . . . 0.0 112.294 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.26 145.26 20.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.095 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.412 HG12 HD12 ' A' ' 132' ' ' LEU . 24.8 m -80.63 136.7 22.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.152 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.5 m -144.58 178.94 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -101.16 142.19 32.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -119.1 147.19 44.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.58 ' HD2' ' HB2' ' A' ' 20' ' ' ALA . 20.0 tptt -147.39 135.8 21.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.6 t -121.03 106.6 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.9 t -134.51 -179.94 5.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.49 -23.37 62.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -74.78 -12.97 60.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.11 -115.7 2.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.518 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 68.3 mt -143.55 133.35 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.902 0.382 . . . . 0.0 111.123 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.7 m -118.82 121.77 40.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.7 mt -116.2 143.36 45.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 37.4 m -140.5 144.85 36.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.084 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -130.17 143.23 50.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -83.9 -57.78 3.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 75' ' ' ARG . 12.8 mp0 -68.95 -14.11 62.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 74' ' ' GLN . 26.0 ptt180 34.77 39.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.3 mttm -57.77 -37.81 74.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.8 mt -113.69 -48.39 2.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -144.2 126.75 15.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.58 ' CD2' ' HB2' ' A' ' 80' ' ' ARG . 57.8 t80 -74.93 -73.05 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.58 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 12.0 ttm-85 -121.39 146.53 46.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -164.9 122.46 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -127.44 135.14 50.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -115.33 148.86 41.73 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.65 0.738 . . . . 0.0 110.944 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 170.66 16.06 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.329 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.65 HG23 HD13 ' A' ' 149' ' ' LEU . 11.0 p -77.14 -23.5 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -74.78 -50.25 17.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.0 p -39.43 -58.51 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 35.4 mt -57.7 108.37 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.182 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.9 p -102.9 -40.12 6.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.174 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -135.17 149.95 50.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.488 ' O ' ' CG2' ' A' ' 146' ' ' THR . 15.9 t -165.06 123.23 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.835 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.1 t -174.17 147.29 1.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.736 HG23 HG21 ' A' ' 142' ' ' VAL . 6.9 p -41.31 156.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -58.64 138.98 86.1 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.568 0.699 . . . . 0.0 110.844 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.447 ' CG ' ' HB2' ' A' ' 41' ' ' ALA . 53.8 Cg_endo -69.74 -51.26 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.717 2.278 . . . . 0.0 112.347 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.454 HE22 ' HB1' ' A' ' 41' ' ' ALA . 1.1 mp0 -58.28 -26.45 63.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.4 t70 65.2 32.61 9.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -73.63 165.14 25.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -110.17 163.87 13.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 61.7 t-105 -126.65 105.4 8.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.9 m -72.01 96.99 1.8 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.176 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -51.4 156.41 2.09 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.643 0.735 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -0.63 7.17 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.67 2.247 . . . . 0.0 112.366 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -96.95 -23.01 16.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 111.38 61.87 0.48 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.528 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.1 t -168.72 149.28 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.903 0.382 . . . . 0.0 111.099 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 42.4 p -92.42 146.05 23.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.1 p -141.64 146.91 36.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.425 ' HD3' ' N ' ' A' ' 110' ' ' ILE . 1.0 OUTLIER -69.54 143.0 53.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.425 ' N ' ' HD3' ' A' ' 109' ' ' LYS . 87.5 mt -99.95 140.47 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.151 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.523 ' CG ' ' HB1' ' A' ' 138' ' ' ALA . 10.7 p90 -162.9 155.75 19.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -172.79 -171.34 37.47 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.412 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 4.1 p90 -142.99 164.86 28.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.897 0.38 . . . . 0.0 110.875 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 10.9 t -106.72 111.38 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.17 163.42 19.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -85.26 154.82 21.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -62.37 154.36 72.14 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.543 0.687 . . . . 0.0 110.931 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -51.13 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -90.03 -14.51 59.07 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.9 m -120.74 88.21 43.44 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.638 0.732 . . . . 0.0 110.872 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -3.77 12.7 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.677 2.251 . . . . 0.0 112.322 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 13.8 p90 -105.26 -0.01 26.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -111.52 168.62 9.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -128.15 141.94 51.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.9 p -152.1 107.04 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.167 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 12.1 t -81.27 145.33 30.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 -115.6 124.56 51.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.9 tp -89.21 149.99 22.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 111' ' ' PHE . 33.3 m-85 -146.21 169.85 17.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.541 ' HB3' HD12 ' A' ' 24' ' ' LEU . . . -136.73 160.94 37.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.1 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -66.82 130.66 43.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.423 HD23 ' C ' ' A' ' 132' ' ' LEU . 7.7 tt -109.81 -51.04 2.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.439 ' CG ' ' HD2' ' A' ' 134' ' ' PRO . 1.8 t70 -112.28 141.27 24.76 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.605 0.717 . . . . 0.0 110.852 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 133' ' ' ASP . 54.0 Cg_endo -69.82 -25.37 28.39 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.671 2.247 . . . . 0.0 112.343 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.78 -43.88 91.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' GLN . . . . . 0.422 ' HA ' ' HD2' ' A' ' 137' ' ' PRO . 15.6 mm100 -111.14 94.35 20.94 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.583 ' HG2' ' HB2' ' A' ' 140' ' ' ALA . 54.0 Cg_endo -69.79 141.04 44.05 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.68 2.253 . . . . 0.0 112.354 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.523 ' HB1' ' CG ' ' A' ' 111' ' ' PHE . . . -38.43 -48.47 1.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -57.54 -38.88 89.58 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.583 ' HB2' ' HG2' ' A' ' 137' ' ' PRO . . . -62.27 -16.65 55.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.692 0.282 . . . . 0.0 111.067 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' ' 138' ' ' ALA . 57.7 mt -87.7 -73.75 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.811 ' HA ' HD12 ' A' ' 145' ' ' ILE . 3.2 m -41.88 -38.16 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 86.9 m -56.31 -69.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -39.28 -38.32 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.811 HD12 ' HA ' ' A' ' 142' ' ' VAL . 37.3 mt -64.36 -67.2 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 91' ' ' SER . 58.2 p -53.19 -22.94 7.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -75.31 -41.72 56.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.448 ' O ' ' C ' ' A' ' 149' ' ' LEU . 79.7 t -96.7 -70.96 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.08 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.65 HD13 HG23 ' A' ' 85' ' ' VAL . 4.0 mm? -34.29 -70.65 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 30.6 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.879 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.9 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.873 0.368 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -42.4 -42.95 3.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -58.04 -55.6 32.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.61 107.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.453 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.39 122.61 41.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.842 0.353 . . . . 0.0 111.104 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.621 ' HB2' ' HG3' ' A' ' 62' ' ' LYS . . . -146.47 128.33 15.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.3 m -157.53 171.48 20.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.0 m -80.4 131.44 35.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.1 m -115.9 173.74 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.691 HD11 ' CB ' ' A' ' 56' ' ' PRO . 2.5 tm? -108.98 112.97 25.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.403 ' N ' HD13 ' A' ' 24' ' ' LEU . 50.8 t80 -85.22 100.35 11.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.723 HD12 ' HG ' ' A' ' 128' ' ' LEU . 41.1 mt -66.56 -67.07 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.6 t -173.01 165.59 5.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.7 p -126.5 126.26 43.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.6 t -111.34 142.83 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -73.27 115.97 13.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.686 HG21 ' HB1' ' A' ' 39' ' ' ALA . 71.4 p -112.47 38.78 2.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.186 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -39.4 -49.29 2.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.4 t -92.73 -37.29 12.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.873 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -66.94 135.19 53.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.5 p -146.02 173.87 11.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.45 -153.34 43.45 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -5.33 15.99 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.345 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -80.82 -40.21 25.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.686 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -59.49 -51.78 68.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.0 t -53.2 -44.16 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.404 ' HB2' ' HG3' ' A' ' 95' ' ' PRO . . . -58.14 -47.18 84.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.143 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.1 ttt85 -48.04 -56.27 8.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.478 ' HB2' ' SG ' ' A' ' 126' ' ' CYS . . . -45.28 -45.5 12.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.4 m -70.53 -63.35 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.7 m -40.96 -41.97 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.42 -39.74 62.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.063 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.89 -29.25 59.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.7 mt -99.08 -40.23 8.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.9 m -64.24 -51.62 62.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -73.88 153.61 39.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.51 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 1.5 m -151.47 160.79 31.25 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.636 0.731 . . . . 0.0 110.893 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.2 Cg_endo -69.81 177.55 28.61 Favored 'Cis proline' 0 C--O 1.231 0.156 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.32 0.032 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.529 ' HD2' ' CH2' ' A' ' 100' ' ' TRP . 17.5 mtm180 -62.0 143.02 95.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.582 0.706 . . . . 0.0 110.845 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 162.23 42.91 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.651 2.234 . . . . 0.0 112.381 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 94.1 m -100.66 99.17 9.46 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.586 0.708 . . . . 0.0 111.164 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.691 ' CB ' HD11 ' A' ' 24' ' ' LEU . 54.1 Cg_endo -69.73 152.57 69.5 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.736 2.29 . . . . 0.0 112.324 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -131.06 157.59 42.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.3 t -91.85 126.82 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.153 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.728 HG12 ' OD1' ' A' ' 72' ' ' ASP . 34.0 m -139.6 152.64 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -69.07 156.63 38.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -145.8 132.95 20.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.621 ' HG3' ' HB2' ' A' ' 20' ' ' ALA . 34.2 tttp -140.9 145.26 35.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.49 HG11 ' CD2' ' A' ' 144' ' ' PHE . 77.2 t -121.71 111.71 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.1 t -141.57 174.44 10.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -57.21 -59.41 5.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.075 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -39.93 -25.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . 137.0 -135.45 7.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.466 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.424 HD12 ' CD1' ' A' ' 88' ' ' ILE . 86.9 mt -123.43 131.08 73.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.905 0.383 . . . . 0.0 111.128 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.0 m -116.91 140.56 49.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.9 mt -133.79 136.99 44.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 93.5 m -127.42 147.9 50.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.728 ' OD1' HG12 ' A' ' 59' ' ' VAL . 9.4 t70 -131.56 144.63 51.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -105.98 -43.62 4.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 20.6 mp0 -69.44 -12.08 61.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 43.64 40.99 3.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.1 mttp -65.95 -45.93 80.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.6 mt -119.53 -45.44 2.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -143.89 168.82 19.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -107.33 -60.37 1.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.837 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -145.08 142.35 29.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -159.52 122.69 3.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -122.75 119.31 30.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.826 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -92.77 149.24 37.53 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.672 0.749 . . . . 0.0 110.917 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 85' ' ' VAL . 53.2 Cg_endo -69.76 131.28 20.9 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.263 . . . . 0.0 112.328 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.632 HG23 HD13 ' A' ' 149' ' ' LEU . 14.5 p -35.95 -35.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 87' ' ' SER . 2.8 m120 -64.83 -52.69 55.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 86' ' ' ASN . 14.5 t -34.94 -58.77 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.424 ' CD1' HD12 ' A' ' 68' ' ' ILE . 19.3 mt -57.04 118.16 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 43.1 p -119.04 -47.74 2.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.095 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -122.96 122.69 39.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.6 t -146.19 112.02 5.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.821 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.8 t -164.76 149.09 9.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.976 HG23 HG21 ' A' ' 142' ' ' VAL . 16.8 p -44.17 145.84 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.153 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.435 ' CG ' ' HD2' ' A' ' 95' ' ' PRO . 2.1 t70 -47.36 140.8 7.05 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.587 0.708 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.435 ' HD2' ' CG ' ' A' ' 94' ' ' ASP . 54.2 Cg_endo -69.76 -31.4 20.62 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.722 2.281 . . . . 0.0 112.336 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -75.07 -9.88 58.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 44.16 37.4 1.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -84.46 159.55 20.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -103.97 154.42 19.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.533 ' CD1' HD21 ' A' ' 26' ' ' LEU . 68.7 t-105 -118.45 109.79 16.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.5 m -62.66 105.09 0.6 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.08 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -61.74 161.5 20.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.63 0.728 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 2.95 3.07 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.69 2.26 . . . . 0.0 112.362 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -99.6 -39.49 8.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 142.65 -23.52 2.33 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.3 t -90.19 157.33 17.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.372 . . . . 0.0 111.132 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 68.4 p -98.86 155.81 17.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.158 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.3 p -134.54 163.78 28.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -84.17 127.05 33.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 89.6 mt -81.25 131.65 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.473 ' CD1' ' HB1' ' A' ' 138' ' ' ALA . 7.2 p90 -153.5 161.61 42.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 177.04 164.42 30.77 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.438 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -122.34 169.8 10.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.865 0.364 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 18.4 t -114.03 115.85 50.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.95 140.06 52.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.065 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -66.45 151.91 46.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.474 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 14.7 ttmm -69.76 139.58 88.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 0.0 110.92 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 54.0 Cg_endo -69.74 3.23 2.88 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.717 2.278 . . . . 0.0 112.353 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -126.2 -29.22 0.95 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.503 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.6 m -125.3 97.14 37.83 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.692 0.758 . . . . 0.0 110.85 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.429 ' HG2' ' CE3' ' A' ' 122' ' ' TRP . 54.2 Cg_endo -69.79 -13.51 34.69 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.429 ' CE3' ' HG2' ' A' ' 121' ' ' PRO . 15.2 p90 -92.61 7.02 45.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -125.61 177.39 6.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -146.16 135.05 22.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 71.4 t -127.06 118.31 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.478 ' SG ' ' HB2' ' A' ' 43' ' ' ALA . 15.2 p -87.15 148.34 25.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -122.01 118.56 29.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.723 ' HG ' HD12 ' A' ' 26' ' ' LEU . 8.8 tp -84.29 140.26 31.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -146.34 174.03 11.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -156.41 130.91 8.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.48 ' HB3' ' N ' ' A' ' 138' ' ' ALA . 3.6 pt-20 -46.57 103.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.407 HD23 ' C ' ' A' ' 132' ' ' LEU . 10.4 tt -73.47 -51.97 15.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -88.23 138.27 30.65 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.596 0.712 . . . . 0.0 110.875 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -43.18 2.79 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.673 2.249 . . . . 0.0 112.332 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -44.99 -46.74 11.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' GLN . . . . . 0.423 ' HA ' ' HD2' ' A' ' 137' ' ' PRO . 12.6 mm100 -114.9 108.26 48.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.605 0.717 . . . . 0.0 110.902 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 136' ' ' GLN . 54.1 Cg_endo -69.74 170.78 15.75 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.698 2.265 . . . . 0.0 112.36 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.651 ' HA ' HD12 ' A' ' 141' ' ' ILE . . . -66.69 -43.63 83.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -54.21 -52.6 42.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.501 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -47.89 -30.64 4.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.771 0.319 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.651 HD12 ' HA ' ' A' ' 138' ' ' ALA . 26.3 mt -75.17 -72.51 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.976 HG21 HG23 ' A' ' 93' ' ' THR . 3.8 m -40.3 -41.99 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 88.5 m -58.88 -56.34 23.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' PHE . . . . . 0.49 ' CD2' HG11 ' A' ' 63' ' ' VAL . 64.1 t80 -58.45 -33.4 69.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.65 HD12 ' HA ' ' A' ' 142' ' ' VAL . 90.1 mt -57.33 -73.17 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' THR . . . . . 0.611 ' CB ' HD13 ' A' ' 150' ' ' LEU . 22.0 p -53.19 -37.88 62.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.176 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -44.78 -61.14 1.7 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.707 HG13 ' CD2' ' A' ' 149' ' ' LEU . 7.1 p -81.1 -40.42 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.707 ' CD2' HG13 ' A' ' 148' ' ' VAL . 2.2 mm? -65.17 -70.99 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.611 HD13 ' CB ' ' A' ' 146' ' ' THR . 8.1 mp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.859 HD21 HG22 ' A' ' 148' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.837 0.351 . . . . 0.0 110.926 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.64 -48.68 49.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.474 ' HG2' ' N ' ' A' ' 18' ' ' GLY . 2.0 pt20 -72.68 -37.2 67.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.474 ' N ' ' HG2' ' A' ' 17' ' ' GLN . . . 62.91 149.5 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.506 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.6 123.03 42.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.874 0.369 . . . . 0.0 111.098 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -147.52 119.34 8.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.6 m -155.82 170.82 21.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -79.8 155.9 27.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.473 HG13 ' HB2' ' A' ' 61' ' ' PHE . 20.6 m -140.79 175.73 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.136 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.554 ' C ' HD13 ' A' ' 24' ' ' LEU . 2.9 tm? -108.63 110.49 21.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.436 ' HE2' HD13 ' A' ' 77' ' ' LEU . 44.1 t80 -81.55 104.64 12.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.739 HD12 ' HG ' ' A' ' 128' ' ' LEU . 74.0 mt -75.05 -65.84 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.924 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.4 t -174.87 160.04 2.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.7 p -119.85 116.0 24.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 52.3 t -103.84 142.18 18.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.15 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -72.16 117.96 14.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.667 HG21 ' HB1' ' A' ' 39' ' ' ALA . 65.9 p -114.24 37.11 3.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.168 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -38.11 -48.66 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 t -93.47 -34.1 13.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.849 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -71.85 139.85 49.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.959 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.2 t -154.01 165.66 35.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.67 -151.95 46.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.466 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -21.25 33.77 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 0.0 112.323 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -66.08 -46.45 77.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.667 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -53.32 -41.91 66.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.042 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.5 t -62.06 -48.67 87.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.18 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.44 -46.64 73.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.096 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.5 ttt85 -55.59 -64.1 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.23 -38.06 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.7 m -71.01 -42.34 69.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.3 t -64.95 -40.51 95.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.825 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.4 -33.98 75.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.079 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.14 -43.78 94.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.3 mt -76.32 -38.55 55.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.4 t -64.59 -50.29 67.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 36.9 t -44.01 138.64 2.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.504 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 27.8 m -149.59 127.92 5.92 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.693 0.759 . . . . 0.0 110.823 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.9 Cg_endo -69.68 140.39 60.03 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.342 -0.102 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.1 ptp85 -41.27 147.18 0.47 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.58 0.705 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 148.42 64.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.656 2.237 . . . . 0.0 112.332 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.6 m -90.8 114.25 60.73 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.624 0.726 . . . . 0.0 111.13 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.548 ' CB ' HD11 ' A' ' 24' ' ' LEU . 53.9 Cg_endo -69.76 174.93 8.79 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.725 2.283 . . . . 0.0 112.377 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.08 154.1 37.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.085 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.7 m -90.03 132.62 34.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.9 m -143.79 171.92 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -92.5 140.78 29.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.473 ' HB2' HG13 ' A' ' 23' ' ' VAL . 6.7 t80 -125.51 121.61 34.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -129.96 140.42 50.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 80.4 t -128.2 111.85 25.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.108 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.4 t -139.22 -175.55 4.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.27 -23.38 62.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.082 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -76.63 -11.25 59.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.4 ' HA2' HD11 ' A' ' 149' ' ' LEU . . . 116.35 -120.42 4.86 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.431 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.5 mt -134.24 132.24 55.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.899 0.38 . . . . 0.0 111.098 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.5 m -118.56 140.09 50.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 56.1 mt -130.63 141.9 50.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.3 m -143.52 121.44 12.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.447 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 15.6 t70 -105.61 122.33 45.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -101.17 20.75 15.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 75' ' ' ARG . 25.7 mm-40 -111.33 -7.73 14.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 74' ' ' GLN . 58.2 mtm180 37.25 44.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -93.85 -56.41 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.436 HD13 ' HE2' ' A' ' 25' ' ' TYR . 13.7 mt -106.68 -44.97 4.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.447 ' CZ ' ' HB2' ' A' ' 72' ' ' ASP . 2.5 p90 -142.38 174.53 10.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -108.43 -58.67 1.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.0 mtp85 -140.66 154.95 46.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -165.35 126.53 1.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -141.02 133.15 27.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -111.99 143.73 29.31 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.737 0.78 . . . . 0.0 110.908 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 149.11 66.58 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.653 2.235 . . . . 0.0 112.36 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.658 HG23 HD13 ' A' ' 149' ' ' LEU . 14.4 p -54.92 -18.53 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 87' ' ' SER . 10.4 t30 -79.08 -60.18 2.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 86' ' ' ASN . 10.6 t -36.14 -49.79 0.68 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 13.0 mt -60.74 123.96 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 81.8 p -124.37 -44.34 2.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -126.98 151.52 48.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.426 ' O ' ' CG2' ' A' ' 146' ' ' THR . 16.4 t -169.74 119.2 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.4 t -168.82 152.1 5.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.76 HG23 HG21 ' A' ' 142' ' ' VAL . 15.6 p -52.32 149.34 5.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -52.74 142.54 32.79 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.569 0.7 . . . . 0.0 110.855 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.447 ' HG2' ' NE2' ' A' ' 96' ' ' GLN . 54.0 Cg_endo -69.78 -34.11 15.18 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.683 2.256 . . . . 0.0 112.344 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.447 ' NE2' ' HG2' ' A' ' 95' ' ' PRO . 28.3 mp0 -76.17 -16.39 59.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 43.14 46.38 5.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -81.88 175.09 10.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -110.86 145.38 38.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 41.1 t-105 -108.36 102.72 11.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.1 m -72.51 94.66 1.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.174 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -50.11 160.59 0.66 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.665 0.745 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -7.08 20.13 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.342 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -88.25 -39.16 14.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 127.73 41.42 0.29 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.0 t -143.21 148.4 36.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.937 0.398 . . . . 0.0 111.125 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.8 p -95.21 156.78 16.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 67.0 m -158.67 156.03 29.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 47.6 tttt -69.24 159.74 32.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 60.1 mt -119.65 139.66 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.431 ' HB3' ' HB1' ' A' ' 138' ' ' ALA . 5.8 p90 -160.95 171.63 18.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 172.16 162.14 23.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -118.5 167.38 11.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.89 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.7 t -117.43 114.63 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.05 148.41 44.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -79.41 153.73 29.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.946 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.471 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 10.3 ttmm -71.01 139.76 85.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.587 0.708 . . . . 0.0 110.886 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 53.8 Cg_endo -69.71 -9.88 27.21 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.724 2.283 . . . . 0.0 112.353 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -119.6 -15.91 5.23 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.461 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.406 ' HA ' ' HD2' ' A' ' 121' ' ' PRO . 73.2 m -134.08 96.23 16.16 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.643 0.735 . . . . 0.0 110.861 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 120' ' ' SER . 54.0 Cg_endo -69.76 -1.36 8.34 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.678 2.252 . . . . 0.0 112.351 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.581 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 36.2 p90 -112.44 -0.36 15.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.581 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 69.0 mt-10 -120.09 106.91 12.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -80.6 142.1 34.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 45.7 t -130.76 111.83 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.112 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 2.7 t -90.64 143.56 26.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 17.5 m80 -117.54 124.62 49.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.739 ' HG ' HD12 ' A' ' 26' ' ' LEU . 13.5 tp -87.28 148.3 25.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.536 ' CD1' ' O ' ' A' ' 128' ' ' LEU . 42.1 m-85 -154.91 168.61 26.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.408 ' HB2' HD11 ' A' ' 26' ' ' LEU . . . -141.85 150.11 41.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.404 ' O ' ' CD ' ' A' ' 131' ' ' GLU . 2.7 pp20? -60.35 113.39 2.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.487 HD23 ' C ' ' A' ' 132' ' ' LEU . 9.5 tt -84.72 -47.18 10.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.496 ' HB2' ' CG ' ' A' ' 136' ' ' GLN . 4.2 m-20 -94.87 139.75 22.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.589 0.709 . . . . 0.0 110.869 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -50.8 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.719 2.279 . . . . 0.0 112.341 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -51.99 -36.61 50.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.847 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' GLN . . . . . 0.496 ' CG ' ' HB2' ' A' ' 133' ' ' ASP . 20.7 pt20 -113.68 96.27 40.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.598 0.714 . . . . 0.0 110.946 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 162.33 42.45 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.677 2.252 . . . . 0.0 112.338 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.731 ' HA ' HD12 ' A' ' 141' ' ' ILE . . . -46.05 -49.14 16.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -49.79 -55.9 13.18 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.526 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -42.59 -25.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.752 0.311 . . . . 0.0 111.079 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.731 HD12 ' HA ' ' A' ' 138' ' ' ALA . 23.7 mt -81.12 -70.93 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.76 HG21 HG23 ' A' ' 93' ' ' THR . 14.3 m -45.61 -44.48 4.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.417 ' N ' HG23 ' A' ' 142' ' ' VAL . 43.4 m -50.81 -53.26 33.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -58.79 -43.21 90.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.729 HD12 ' HA ' ' A' ' 142' ' ' VAL . 80.7 mt -52.04 -73.66 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' THR . . . . . 0.541 ' HA ' HD13 ' A' ' 150' ' ' LEU . 44.3 p -48.83 -40.94 31.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.087 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -53.55 -41.05 66.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.859 HG22 HD21 ' A' ' 15' ' ' LEU . 94.8 t -94.44 -62.84 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.658 HD13 HG23 ' A' ' 85' ' ' VAL . 3.5 mm? -48.16 -69.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.541 HD13 ' HA ' ' A' ' 146' ' ' THR . 6.6 mp . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.414 HD21 HG21 ' A' ' 148' ' ' VAL . 30.1 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.789 0.328 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.9 ttm-85 -67.96 -36.52 80.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -65.27 -48.59 72.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.53 129.01 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.452 ' HB3' ' CD2' ' A' ' 144' ' ' PHE . . . -127.39 121.45 30.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.336 . . . . 0.0 111.125 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.17 124.3 15.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.9 p -150.19 -178.05 6.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 m -88.39 140.52 29.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.509 HG13 ' HB2' ' A' ' 61' ' ' PHE . 32.7 m -124.42 152.42 30.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.118 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.528 ' C ' HD13 ' A' ' 24' ' ' LEU . 3.4 tm? -98.62 108.39 21.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.457 ' HE2' HD21 ' A' ' 77' ' ' LEU . 39.7 t80 -77.76 125.31 29.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.726 HD12 ' HG ' ' A' ' 128' ' ' LEU . 32.9 mt -96.28 -67.01 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.6 t -169.87 -178.45 2.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.6 p -141.96 120.46 12.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.0 t -113.67 115.55 50.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -50.93 131.13 26.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.842 HG21 ' HB1' ' A' ' 39' ' ' ALA . 18.6 p -118.18 35.89 4.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.099 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 31' ' ' THR . 0.5 OUTLIER -33.79 -45.71 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 t -95.26 -35.2 11.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 31' ' ' THR . 1.7 mm? -72.62 151.68 42.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -170.48 156.23 5.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.78 -153.96 35.27 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.429 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 3.26 2.88 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.709 2.272 . . . . 0.0 112.321 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -96.99 -40.05 9.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.842 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -56.72 -42.14 78.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.088 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.5 t -59.72 -33.43 52.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 42' ' ' ARG . . . -67.64 -61.03 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 41' ' ' ALA . 37.5 ttt180 -35.94 -59.76 0.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.18 -60.2 1.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.4 m -54.43 -56.83 14.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.3 t -48.29 -34.14 9.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.19 -39.95 46.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.89 -31.1 66.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.4 mt -97.74 -38.64 9.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.2 t -64.28 -52.31 59.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -76.8 148.15 36.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.509 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 1.5 m -149.97 160.84 32.83 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.687 0.756 . . . . 0.0 110.849 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.9 Cg_endo -69.77 147.1 83.98 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.723 -1.782 . . . . 0.0 112.351 0.03 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.4 ptt-85 -39.58 144.59 0.48 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.607 0.718 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 162.59 41.46 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.754 2.303 . . . . 0.0 112.354 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.4 m -99.76 109.09 54.45 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.551 0.691 . . . . 0.0 111.142 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 173.1 11.45 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.723 2.282 . . . . 0.0 112.356 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.48 155.24 42.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.09 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.7 t -92.79 126.1 45.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.673 HG12 ' HB3' ' A' ' 72' ' ' ASP . 30.2 m -142.12 179.56 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -103.47 165.12 11.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.509 ' HB2' HG13 ' A' ' 23' ' ' VAL . 12.4 t80 -143.14 138.81 30.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -144.25 136.54 26.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.9 t -117.68 115.83 49.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.157 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.0 m -139.17 179.78 6.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.813 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.91 -19.5 62.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.11 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -79.42 -20.5 47.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 132.96 -154.3 21.09 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 41.4 mt -103.11 143.46 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.884 0.374 . . . . 0.0 111.156 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.436 HG23 ' HB2' ' A' ' 82' ' ' HIS . 7.0 m -133.29 134.5 43.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.148 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.7 mt -127.58 106.99 9.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 56.8 m -106.85 139.55 41.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.673 ' HB3' HG12 ' A' ' 59' ' ' VAL . 6.9 p-10 -131.42 143.67 50.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -111.42 19.55 18.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -97.39 -38.6 9.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.8 mtp180 56.14 30.79 17.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -100.67 -68.25 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.457 HD21 ' HE2' ' A' ' 25' ' ' TYR . 55.6 tp -75.51 -43.62 48.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.501 ' CE1' HG11 ' A' ' 59' ' ' VAL . 4.5 p90 -162.43 -179.45 6.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.416 ' CG ' ' N ' ' A' ' 80' ' ' ARG . 37.2 t80 -118.15 171.15 8.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.416 ' N ' ' CG ' ' A' ' 79' ' ' PHE . 19.6 ttt-85 -40.36 144.12 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 33.3 mtp180 -147.87 120.05 8.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.436 ' HB2' HG23 ' A' ' 69' ' ' THR . 4.8 t60 -112.64 142.42 45.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.507 ' CD1' ' N ' ' A' ' 83' ' ' TYR . 0.3 OUTLIER -128.85 145.48 56.59 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.644 0.735 . . . . 0.0 110.978 -179.856 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 170.33 16.79 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.731 2.287 . . . . 0.0 112.319 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.723 HG23 ' CD1' ' A' ' 149' ' ' LEU . 11.7 p -86.3 -12.78 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 39.6 m-20 -82.02 -18.47 43.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.7 t -84.2 -38.87 20.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 13.4 mt -75.26 116.95 18.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 32.9 p -121.63 -36.94 2.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -121.24 145.18 48.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.0 t -170.89 113.34 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.4 t -165.8 146.33 6.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.913 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.867 HG23 HG21 ' A' ' 142' ' ' VAL . 4.0 p -46.39 150.17 0.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -53.53 141.9 42.78 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.539 0.685 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.476 ' HG2' ' NE2' ' A' ' 96' ' ' GLN . 53.6 Cg_endo -69.74 -40.58 5.19 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.652 2.234 . . . . 0.0 112.38 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.476 ' NE2' ' HG2' ' A' ' 95' ' ' PRO . 28.6 mp0 -71.76 -18.23 62.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 49.7 45.88 24.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -83.92 160.18 21.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 -102.03 148.42 25.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.499 ' CD2' HD22 ' A' ' 26' ' ' LEU . 50.1 t-105 -111.05 116.58 31.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.5 m -78.32 98.39 5.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -64.33 160.68 48.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.627 0.727 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -8.46 23.66 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.696 2.264 . . . . 0.0 112.379 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -88.95 5.69 42.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 75.63 59.07 3.62 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.459 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.0 t -163.34 162.76 25.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 0.0 111.152 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 10.7 p -108.48 154.69 21.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 45.6 p -149.47 161.08 42.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -79.36 138.57 37.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 69.0 mt -94.72 139.61 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.435 ' HB3' ' HB1' ' A' ' 138' ' ' ALA . 5.5 p90 -158.84 173.15 16.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 170.48 170.58 34.94 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.417 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 2.5 p90 -128.44 159.26 35.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.6 t -106.62 116.79 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.182 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -129.82 146.41 51.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -66.89 149.21 50.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.477 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 28.9 ttmt -60.35 139.85 91.84 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.534 0.683 . . . . 0.0 110.901 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.477 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 53.3 Cg_endo -69.8 -8.79 24.5 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.705 2.27 . . . . 0.0 112.331 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -120.73 -3.66 10.99 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.463 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.3 m -158.24 105.0 1.7 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.64 0.733 . . . . 0.0 110.882 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -8.07 22.65 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.642 2.228 . . . . 0.0 112.364 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.535 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 8.4 p90 -97.18 3.83 51.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.535 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 18.4 mt-10 -121.73 127.32 50.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.46 138.37 39.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.2 p -152.21 112.9 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 41.8 t -85.85 156.69 20.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -118.25 120.61 38.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.726 ' HG ' HD12 ' A' ' 26' ' ' LEU . 10.5 tp -77.53 143.83 38.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.428 ' CD1' ' O ' ' A' ' 128' ' ' LEU . 24.2 m-85 -152.19 172.84 15.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.516 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -144.56 155.17 43.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.079 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.52 102.86 0.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.444 ' C ' ' CD1' ' A' ' 132' ' ' LEU . 0.2 OUTLIER -57.69 -59.45 5.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.96 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -100.33 150.36 36.86 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.612 0.72 . . . . 0.0 110.904 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -41.76 3.99 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.67 2.247 . . . . 0.0 112.31 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -53.87 -41.08 67.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -108.4 89.17 5.66 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.573 0.702 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 156.46 63.28 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.692 2.262 . . . . 0.0 112.343 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.781 ' HA ' HD12 ' A' ' 141' ' ' ILE . . . -49.01 -49.34 41.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.12 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -48.58 -48.76 28.29 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.459 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.04 -19.86 5.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.743 0.306 . . . . 0.0 111.101 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.781 HD12 ' HA ' ' A' ' 138' ' ' ALA . 32.7 mt -85.86 -73.83 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.867 HG21 HG23 ' A' ' 93' ' ' THR . 3.7 m -43.98 -37.81 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 39.8 m -61.06 -57.22 13.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.193 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' PHE . . . . . 0.452 ' CD2' ' HB3' ' A' ' 19' ' ' ALA . 4.2 t80 -54.15 -35.43 62.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.704 HD12 ' HA ' ' A' ' 142' ' ' VAL . 65.1 mt -63.26 -72.21 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 44.9 p -50.06 -18.0 0.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.179 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 7.2 mtpp -74.36 -49.63 21.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.598 HG13 HD22 ' A' ' 149' ' ' LEU . 7.2 p -96.64 -49.74 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.723 ' CD1' HG23 ' A' ' 85' ' ' VAL . 4.3 mm? -55.58 -69.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 10.5 mp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.929 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.762 0.315 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.74 -41.27 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -70.44 -50.92 33.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.64 137.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.502 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.93 119.2 31.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.341 . . . . 0.0 111.063 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.51 121.23 13.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 p -156.03 167.67 29.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.7 m -79.14 133.98 36.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.0 m -119.81 178.45 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.723 HD11 ' HB2' ' A' ' 56' ' ' PRO . 2.3 tm? -108.58 113.58 26.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -89.31 95.96 10.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.562 HD22 ' CD2' ' A' ' 100' ' ' TRP . 48.6 mt -61.03 -66.9 0.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.6 t -172.74 165.09 5.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.164 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.3 t -117.95 115.73 25.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.581 HG21 ' HA ' ' A' ' 43' ' ' ALA . 74.0 t -102.08 129.25 53.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.168 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -65.24 117.6 8.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.614 HG21 ' HB1' ' A' ' 39' ' ' ALA . 76.5 p -118.3 37.43 4.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 31' ' ' THR . 11.0 pt-20 -34.81 -48.43 0.39 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.42 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 22.7 t -94.55 -38.7 10.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.849 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -66.42 134.78 53.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.9 p -143.48 -176.92 5.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.95 -148.1 13.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -29.32 23.75 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.655 2.237 . . . . 0.0 112.361 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -57.99 -40.39 80.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.614 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -65.87 -47.25 75.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.087 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.566 HG12 ' OD1' ' A' ' 94' ' ' ASP . 98.6 t -59.31 -44.2 91.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.173 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.489 ' HB2' ' HG2' ' A' ' 95' ' ' PRO . . . -60.9 -61.07 2.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.084 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 41' ' ' ALA . 14.3 ttt180 -36.95 -60.87 0.59 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.672 ' HB2' ' SG ' ' A' ' 126' ' ' CYS . . . -41.12 -51.75 3.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.074 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.447 ' OG ' HD11 ' A' ' 128' ' ' LEU . 17.0 m -59.76 -44.32 93.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 t -57.76 -43.61 85.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.85 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.12 -37.27 66.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.072 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.18 -34.6 64.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.046 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mt -98.85 -35.73 10.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.4 t -64.45 -52.33 58.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.841 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -73.04 146.83 45.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.517 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 3.8 m -149.87 157.75 37.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.702 0.763 . . . . 0.0 110.84 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.9 Cg_endo -69.71 130.25 16.24 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.724 -1.782 . . . . 0.0 112.331 -0.057 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.568 ' HD3' ' CH2' ' A' ' 100' ' ' TRP . 4.4 ptp85 -34.62 142.29 0.24 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.65 0.738 . . . . 0.0 110.854 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 145.47 57.38 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 98.1 m -77.11 116.43 57.36 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.595 0.712 . . . . 0.0 111.135 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.723 ' HB2' HD11 ' A' ' 24' ' ' LEU . 54.0 Cg_endo -69.78 148.33 64.7 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.396 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -124.7 142.28 51.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.104 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.452 HG13 ' O ' ' A' ' 58' ' ' VAL . 8.3 p -90.98 127.73 43.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.508 HG12 ' HA ' ' A' ' 72' ' ' ASP . 27.6 m -136.22 171.69 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -82.74 146.94 28.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.426 ' HZ ' HD11 ' A' ' 145' ' ' ILE . 10.9 t80 -128.08 121.1 28.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -130.75 133.12 45.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.1 t -113.08 98.82 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -127.69 176.63 7.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.58 -47.73 84.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -45.93 -33.67 3.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 142.5 -129.49 3.87 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.469 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.4 mm -122.46 138.46 52.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 0.0 111.167 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.8 m -126.36 142.4 51.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.183 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.5 mt -144.02 132.51 22.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.5 m -130.65 137.09 49.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.508 ' HA ' HG12 ' A' ' 59' ' ' VAL . 30.3 t0 -113.25 -48.52 2.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.4 m120 63.61 25.08 14.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -106.16 -21.67 13.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 54.78 45.56 26.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -118.04 -48.2 2.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mt -112.19 -44.9 3.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.542 ' CG ' ' O ' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -165.79 106.6 0.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 78' ' ' PHE . 54.9 t80 -36.67 -60.31 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.402 ' HD3' ' C ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -173.9 147.16 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.846 -179.896 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -145.84 134.29 21.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -111.89 137.58 49.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -116.63 145.3 35.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.689 0.757 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -175.86 1.29 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.69 2.26 . . . . 0.0 112.364 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.626 HG23 ' CD1' ' A' ' 149' ' ' LEU . 13.7 p -92.36 -30.42 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.178 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 87' ' ' SER . 4.6 m-20 -69.15 -57.01 5.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.483 ' O ' HG23 ' A' ' 89' ' ' THR . 94.9 p -35.99 -48.46 0.59 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.0 mt -59.36 129.16 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.138 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 87' ' ' SER . 30.4 p -132.91 -50.12 0.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -119.95 140.12 51.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.6 t -162.25 111.2 1.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.6 m -166.58 153.65 9.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.831 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.606 HG23 HG21 ' A' ' 142' ' ' VAL . 8.8 p -47.61 139.6 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.17 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.566 ' OD1' HG12 ' A' ' 40' ' ' VAL . 2.9 t70 -42.09 135.79 2.3 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.63 0.729 . . . . 0.0 110.856 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.489 ' HG2' ' HB2' ' A' ' 41' ' ' ALA . 53.5 Cg_endo -69.77 -6.6 18.98 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.322 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -95.34 -24.25 16.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 52.39 44.23 30.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.435 ' HB3' HD12 ' A' ' 110' ' ' ILE . 9.2 ttm180 -87.48 176.65 7.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -114.26 141.93 46.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.568 ' CH2' ' HD3' ' A' ' 53' ' ' ARG . 52.0 t-105 -108.02 102.61 11.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.9 m -69.62 92.53 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.16 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -48.65 156.13 0.91 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.642 0.734 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 0.08 6.19 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.742 2.295 . . . . 0.0 112.301 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -92.38 -43.48 9.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 134.25 41.01 0.16 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 29.3 p -146.53 164.79 31.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.895 0.378 . . . . 0.0 111.127 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.0 p -107.8 157.44 18.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 24.0 p -157.91 161.51 38.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -81.71 142.15 32.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.435 HD12 ' HB3' ' A' ' 98' ' ' ARG . 23.2 mt -98.77 126.46 51.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 129' ' ' PHE . 13.5 p90 -144.64 165.27 28.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 170.89 161.12 21.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -112.9 173.91 6.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 21.0 t -119.34 104.15 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.101 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -109.25 159.46 16.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.082 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -85.02 137.07 33.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.475 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 24.3 tttm -46.08 140.71 4.91 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.586 0.708 . . . . 0.0 110.878 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 54.0 Cg_endo -69.72 -14.34 36.06 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.728 2.285 . . . . 0.0 112.332 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -104.52 -34.4 3.6 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.513 ' HB3' ' CE2' ' A' ' 122' ' ' TRP . 74.5 m -131.71 121.12 17.95 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.64 0.733 . . . . 0.0 110.915 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.443 ' HD2' ' CZ3' ' A' ' 122' ' ' TRP . 53.7 Cg_endo -69.72 -28.11 25.83 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.71 2.273 . . . . 0.0 112.344 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.532 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 42.7 p90 -76.28 -22.96 54.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.532 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 21.9 mt-10 -96.8 116.87 29.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -98.92 139.43 34.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 93.0 t -125.76 115.54 43.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.672 ' SG ' ' HB2' ' A' ' 43' ' ' ALA . 12.7 p -80.16 130.45 35.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.864 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -105.84 108.95 20.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.447 HD11 ' OG ' ' A' ' 44' ' ' SER . 8.2 tp -81.51 150.79 28.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' A' ' 111' ' ' PHE . 51.3 m-85 -151.88 171.12 18.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -145.16 145.0 31.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.62 ' HG3' ' HB2' ' A' ' 138' ' ' ALA . 40.4 mt-10 -53.91 119.92 5.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 7.3 tp -88.18 -52.22 5.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.434 ' CG ' ' HD2' ' A' ' 134' ' ' PRO . 5.7 t70 -111.45 140.17 22.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.614 0.721 . . . . 0.0 110.915 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.434 ' HD2' ' CG ' ' A' ' 133' ' ' ASP . 53.9 Cg_endo -69.7 -25.55 28.76 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.06 -45.38 87.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -108.63 110.37 61.37 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.584 0.706 . . . . 0.0 110.911 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 151.73 68.81 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.659 2.239 . . . . 0.0 112.352 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.636 ' HA ' HD12 ' A' ' 141' ' ' ILE . . . -56.82 -39.1 73.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -55.39 -52.44 47.66 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.511 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -49.62 -36.07 23.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.79 0.329 . . . . 0.0 111.093 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.636 HD12 ' HA ' ' A' ' 138' ' ' ALA . 22.0 mt -70.84 -71.84 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.606 HG21 HG23 ' A' ' 93' ' ' THR . 15.5 m -46.05 -45.1 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.442 ' N ' HG23 ' A' ' 142' ' ' VAL . 98.4 m -58.6 -49.55 77.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -56.37 -44.59 80.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.475 ' O ' HD23 ' A' ' 149' ' ' LEU . 93.9 mt -51.28 -62.88 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' THR . . . . . 0.5 ' HA ' HD13 ' A' ' 150' ' ' LEU . 58.9 p -59.02 -42.63 90.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.102 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -48.95 -43.74 40.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 91.8 t -91.3 -61.45 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.626 ' CD1' HG23 ' A' ' 85' ' ' VAL . 4.1 mm? -48.89 -70.9 0.08 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.5 HD13 ' HA ' ' A' ' 146' ' ' THR . 6.1 mp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.818 0.342 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.8 mmt-85 -52.33 -34.02 45.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -84.79 -74.89 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.94 140.63 3.32 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.53 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.12 119.7 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.782 0.325 . . . . 0.0 111.116 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -140.7 127.81 20.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.1 m -160.15 179.09 9.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 p -87.87 130.18 34.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.405 HG22 ' HB2' ' A' ' 61' ' ' PHE . 22.2 m -116.13 166.15 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.142 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.68 ' C ' HD13 ' A' ' 24' ' ' LEU . 1.3 tm? -98.55 117.2 32.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.675 ' N ' HD13 ' A' ' 24' ' ' LEU . 68.1 t80 -88.83 116.75 27.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.563 HD11 ' HB2' ' A' ' 130' ' ' ALA . 16.1 mt -89.06 -69.5 0.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.9 t -174.4 173.69 2.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.147 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.6 p -135.99 128.11 29.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.804 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.3 t -111.3 132.52 59.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -59.6 116.14 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.771 HG21 ' HB1' ' A' ' 39' ' ' ALA . 61.7 p -114.28 42.84 2.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.148 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -42.42 -50.5 5.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 t -91.66 -30.07 16.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -75.23 136.98 40.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.2 t -153.73 170.47 20.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.12 -156.77 53.57 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.449 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 2.23 3.73 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.717 2.278 . . . . 0.0 112.341 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -88.06 -48.02 8.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.771 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -52.16 -46.19 65.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.5 t -61.99 -23.92 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.431 ' HB2' ' HG3' ' A' ' 95' ' ' PRO . . . -79.83 -33.82 39.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.083 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 45' ' ' SER . 16.6 ttt85 -68.02 -60.1 2.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.31 -51.69 2.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 p -61.33 -32.82 72.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 49' ' ' SER . 5.5 t -62.29 -42.24 99.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.858 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.2 -30.35 54.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.093 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.74 -39.13 76.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.127 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mt -98.98 -34.44 10.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 45' ' ' SER . 45.2 t -65.37 -44.64 86.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 87.3 m -61.22 137.86 58.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.489 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 15.4 m -137.97 128.0 15.25 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.681 0.753 . . . . 0.0 110.852 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.8 Cg_endo -69.77 178.77 24.33 Favored 'Cis proline' 0 C--N 1.342 0.224 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.354 -0.016 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.7 mtt85 -83.8 150.26 58.69 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.623 0.725 . . . . 0.0 110.861 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 165.57 30.57 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.664 2.243 . . . . 0.0 112.337 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 93.8 m -105.45 118.63 55.17 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.578 0.704 . . . . 0.0 111.145 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.6 ' CB ' HD11 ' A' ' 24' ' ' LEU . 53.1 Cg_endo -69.79 177.73 5.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.254 . . . . 0.0 112.339 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.36 141.02 18.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.1 m -80.91 131.12 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.597 HG12 ' HB3' ' A' ' 72' ' ' ASP . 5.1 m -144.33 -179.61 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -95.34 159.14 15.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.405 ' HB2' HG22 ' A' ' 23' ' ' VAL . 38.4 t80 -144.25 143.84 31.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -151.33 152.76 33.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.416 HG11 ' CD2' ' A' ' 144' ' ' PHE . 41.0 t -132.27 110.47 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.8 m -132.43 -175.94 3.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.3 -18.26 60.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.045 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -82.62 -19.24 38.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.425 ' HA2' HD11 ' A' ' 149' ' ' LEU . . . 134.08 -143.8 15.58 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.533 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.1 mt -116.15 129.85 71.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 111.133 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.1 m -113.4 123.96 51.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.3 mt -119.73 130.49 55.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 58.1 m -145.69 136.17 24.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.159 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.597 ' HB3' HG12 ' A' ' 59' ' ' VAL . 0.6 OUTLIER -112.6 176.71 4.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.899 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -114.94 -17.02 11.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.51 -8.38 41.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 40.54 46.4 2.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.0 mmtm -80.48 -71.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.474 HD22 ' N ' ' A' ' 77' ' ' LEU . 3.5 mm? -73.7 -40.74 63.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.482 ' CD1' ' HB2' ' A' ' 81' ' ' ARG . 15.8 p90 -169.9 140.11 2.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -67.71 -66.99 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -123.99 146.17 48.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.482 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 18.6 ttm-85 -166.5 129.92 1.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -145.47 150.53 36.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -118.69 146.46 39.97 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.665 0.745 . . . . 0.0 110.924 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 147.75 63.62 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.679 2.253 . . . . 0.0 112.366 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.706 HG23 HD13 ' A' ' 149' ' ' LEU . 14.3 p -52.76 -32.35 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.158 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 87' ' ' SER . 30.6 t-20 -65.31 -63.77 1.02 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 86' ' ' ASN . 3.7 m -35.32 -47.5 0.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 50.2 mt -70.86 101.31 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.14 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 43.3 p -105.9 -22.46 12.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -140.76 150.09 42.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.0 t -171.13 114.86 0.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.8 p -167.76 155.15 8.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.931 HG23 HG21 ' A' ' 142' ' ' VAL . 28.7 p -46.34 159.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.115 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.415 ' CG ' ' HD2' ' A' ' 95' ' ' PRO . 7.9 t70 -65.23 139.63 97.61 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.589 0.709 . . . . 0.0 110.828 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.431 ' HG3' ' HB2' ' A' ' 41' ' ' ALA . 53.3 Cg_endo -69.77 -40.08 5.73 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 2.247 . . . . 0.0 112.313 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -55.62 -17.34 5.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.0 t0 49.48 33.42 5.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 70.2 mtt-85 -91.08 175.97 6.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.3 mmt85 -115.25 159.47 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 49.7 t-105 -110.16 112.9 25.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.2 m -70.7 95.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -49.1 156.12 1.02 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.601 0.715 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -0.15 6.52 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.703 2.269 . . . . 0.0 112.379 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -98.21 -31.28 12.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 126.3 28.28 1.02 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.44 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 75.0 p -129.45 171.99 11.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.854 0.359 . . . . 0.0 111.154 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.2 p -118.14 144.93 45.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.152 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.5 m -136.51 173.66 11.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -88.37 132.05 34.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 54.9 mt -90.76 138.38 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.415 ' O ' ' N ' ' A' ' 129' ' ' PHE . 8.0 p90 -157.99 166.94 31.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 176.18 -168.69 40.99 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -152.94 167.54 28.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.5 t -118.76 122.33 69.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.158 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -132.78 141.12 48.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.079 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 46.6 mttm -67.62 145.03 55.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.465 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 43.2 tttt -69.21 140.4 90.6 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.554 0.693 . . . . 0.0 110.934 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 54.0 Cg_endo -69.81 -24.93 28.91 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.669 2.246 . . . . 0.0 112.336 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -103.03 -29.38 5.8 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.466 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.498 ' HB3' ' CG ' ' A' ' 123' ' ' GLU . 59.1 m -120.76 82.53 34.78 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.645 0.735 . . . . 0.0 110.881 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -1.13 7.93 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.703 2.269 . . . . 0.0 112.379 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.428 ' CD1' ' HG2' ' A' ' 123' ' ' GLU . 15.6 p90 -98.13 7.18 46.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.498 ' CG ' ' HB3' ' A' ' 120' ' ' SER . 0.5 OUTLIER -149.2 134.95 18.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -93.81 150.83 20.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 41.8 t -134.85 133.16 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.9 t -109.7 141.72 41.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -113.97 112.58 23.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.422 ' HG ' HD12 ' A' ' 26' ' ' LEU . 10.6 tp -75.14 148.79 39.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 111' ' ' PHE . 36.5 m-85 -151.6 172.02 16.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.563 ' HB2' HD11 ' A' ' 26' ' ' LEU . . . -149.99 159.17 44.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.063 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.821 ' HG3' ' HB2' ' A' ' 138' ' ' ALA . 26.3 mt-10 -61.59 130.63 46.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.42 HD23 ' C ' ' A' ' 132' ' ' LEU . 10.3 tt -113.64 -48.21 2.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.431 ' CG ' ' HD2' ' A' ' 134' ' ' PRO . 4.4 t70 -110.79 141.08 23.37 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.547 0.689 . . . . 0.0 110.91 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.431 ' HD2' ' CG ' ' A' ' 133' ' ' ASP . 53.8 Cg_endo -69.72 -38.5 7.79 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.248 . . . . 0.0 112.375 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -43.99 -49.41 8.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -116.83 109.23 43.4 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.569 0.7 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 164.72 33.53 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.674 2.249 . . . . 0.0 112.327 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.821 ' HB2' ' HG3' ' A' ' 131' ' ' GLU . . . -63.12 -32.61 74.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -66.59 -40.21 94.08 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.79 -29.62 66.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.75 0.31 . . . . 0.0 111.109 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 82.9 mt -73.63 -71.13 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.156 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.931 HG21 HG23 ' A' ' 93' ' ' THR . 2.3 m -43.9 -49.13 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 86.3 m -51.73 -66.49 0.38 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.195 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' PHE . . . . . 0.416 ' CD2' HG11 ' A' ' 63' ' ' VAL . 12.6 t80 -39.56 -48.25 2.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.721 HD12 ' HA ' ' A' ' 142' ' ' VAL . 27.0 mt -54.52 -64.56 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' THR . . . . . 0.593 ' HA ' HD13 ' A' ' 150' ' ' LEU . 45.1 p -53.67 -17.51 2.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.167 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -86.93 -43.55 12.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 42.9 t -94.84 -65.89 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.706 HD13 HG23 ' A' ' 85' ' ' VAL . 4.4 mm? -46.43 -46.75 18.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.95 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.593 HD13 ' HA ' ' A' ' 146' ' ' THR . 5.0 mp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.8 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.796 0.331 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.8 mtt-85 -52.93 -28.43 23.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -72.26 -67.81 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.36 131.26 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.18 122.68 41.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.788 0.328 . . . . 0.0 111.093 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.2 126.32 18.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.2 m -161.16 175.71 12.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.7 m -90.34 126.64 35.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.8 m -111.15 177.01 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.675 ' C ' HD13 ' A' ' 24' ' ' LEU . 2.0 tm? -106.14 114.1 28.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.537 ' N ' HD13 ' A' ' 24' ' ' LEU . 17.6 t80 -80.38 108.21 13.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.555 HD12 ' HG ' ' A' ' 128' ' ' LEU . 36.4 mt -78.47 -70.7 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.4 t -174.49 165.45 3.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.0 p -129.12 131.2 47.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.7 t -119.87 151.56 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.068 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -71.78 126.86 30.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.902 HG21 ' HB1' ' A' ' 39' ' ' ALA . 34.7 p -122.29 38.51 4.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.156 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 31' ' ' THR . 3.4 pt-20 -36.92 -60.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.46 -18.68 26.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.698 HD13 ' HB3' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -79.98 141.82 35.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.9 t -161.03 173.3 15.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.84 -144.23 46.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.483 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -7.66 21.61 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.711 2.274 . . . . 0.0 112.321 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.698 ' HB3' HD13 ' A' ' 34' ' ' LEU . 34.4 mt-30 -79.47 -59.37 2.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.902 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -45.01 -33.14 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.2 t -78.88 -29.94 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.499 ' HB2' ' HG3' ' A' ' 95' ' ' PRO . . . -80.86 -17.14 51.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 -80.88 -62.9 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.528 ' HB2' ' SG ' ' A' ' 126' ' ' CYS . . . -44.14 -47.45 9.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.6 m -51.89 -41.23 61.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.4 m -66.49 -42.93 86.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.55 -14.12 60.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.082 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.11 -31.29 27.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.2 mt -94.22 -40.32 10.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 50' ' ' CYS . 29.1 t -65.51 -51.96 56.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 49' ' ' SER . 2.8 t -35.49 151.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.487 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 1.7 t -162.1 126.63 2.03 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.661 0.743 . . . . 0.0 110.877 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 51' ' ' SER . 54.1 Cg_endo -69.75 142.37 69.86 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.715 -1.785 . . . . 0.0 112.337 -0.025 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -42.5 151.62 0.37 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.63 0.729 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 145.64 57.91 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.629 2.22 . . . . 0.0 112.37 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.3 m -90.71 111.18 46.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.591 0.71 . . . . 0.0 111.131 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.491 ' CB ' HD11 ' A' ' 24' ' ' LEU . 53.9 Cg_endo -69.76 170.68 16.0 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.677 2.251 . . . . 0.0 112.332 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.47 153.18 33.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.5 m -81.11 133.35 29.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.437 HG11 ' CE1' ' A' ' 78' ' ' PHE . 35.7 m -143.55 -176.35 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.196 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 -100.45 156.87 17.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.406 ' CE2' HG23 ' A' ' 141' ' ' ILE . 35.4 t80 -145.15 115.9 7.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -123.78 138.87 54.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 64.1 t -117.62 101.85 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 m -125.65 -179.47 4.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.89 -22.81 52.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.08 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -75.85 -16.21 60.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.421 ' HA2' HD11 ' A' ' 149' ' ' LEU . . . 134.59 -140.72 11.99 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.478 HG12 ' CD1' ' A' ' 88' ' ' ILE . 9.2 mm -118.08 130.44 72.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.863 0.363 . . . . 0.0 111.136 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.3 m -119.01 118.38 31.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.19 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -113.92 150.31 33.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.429 HG22 ' N ' ' A' ' 72' ' ' ASP . 45.1 m -145.53 155.41 43.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.429 ' N ' HG22 ' A' ' 71' ' ' THR . 36.2 t0 -138.97 145.08 39.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -96.57 -38.16 10.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 75' ' ' ARG . 53.1 mm-40 -83.51 1.37 42.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 74' ' ' GLN . 55.6 mtt180 34.61 40.69 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.5 mmtm -62.17 -65.83 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.433 HD22 ' N ' ' A' ' 77' ' ' LEU . 3.2 mm? -96.92 -51.85 4.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.437 ' CE1' HG11 ' A' ' 59' ' ' VAL . 42.6 p90 -132.16 148.75 52.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -93.05 -68.93 0.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -132.81 120.13 21.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -132.1 147.43 52.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -157.91 123.23 4.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -113.02 147.16 36.66 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.685 0.755 . . . . 0.0 110.943 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -173.65 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.313 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.841 HG23 HD13 ' A' ' 149' ' ' LEU . 12.8 p -96.39 -12.36 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -83.89 -18.57 37.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.428 ' O ' HG23 ' A' ' 89' ' ' THR . 53.6 p -77.29 -59.61 2.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.478 ' CD1' HG12 ' A' ' 68' ' ' ILE . 22.1 mt -56.59 129.4 18.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.428 HG23 ' O ' ' A' ' 87' ' ' SER . 52.7 p -126.82 -28.86 2.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -133.9 150.59 51.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.8 t -172.35 115.08 0.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.842 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.9 t -168.32 147.18 4.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.761 HG23 HG21 ' A' ' 142' ' ' VAL . 3.5 p -40.24 161.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.469 ' OD2' ' N ' ' A' ' 97' ' ' ASP . 15.6 t70 -58.19 133.92 84.46 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.665 0.745 . . . . 0.0 110.822 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.499 ' HG3' ' HB2' ' A' ' 41' ' ' ALA . 53.5 Cg_endo -69.82 -32.35 18.49 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.317 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 43.8 mm-40 -81.67 -11.23 59.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.469 ' N ' ' OD2' ' A' ' 94' ' ' ASP . 1.3 m-20 54.76 28.42 10.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -72.93 153.14 41.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -104.9 160.81 14.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 52.0 t-105 -124.3 120.71 32.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 60.7 m -80.57 94.88 6.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.108 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -46.75 159.49 0.37 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.657 0.742 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -4.94 15.07 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.659 2.24 . . . . 0.0 112.299 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -89.11 -33.19 17.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 122.91 52.27 0.21 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.475 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.0 t -163.9 151.58 12.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.359 . . . . 0.0 111.143 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 39.9 p -89.54 152.38 21.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.7 p -143.35 152.09 41.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.44 ' HD3' ' N ' ' A' ' 110' ' ' ILE . 5.0 tmtm? -70.4 132.41 45.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.44 ' N ' ' HD3' ' A' ' 109' ' ' LYS . 96.5 mt -91.21 140.19 16.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.686 ' CD1' ' HB1' ' A' ' 138' ' ' ALA . 3.9 p90 -161.47 164.56 29.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 177.06 -169.79 42.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.541 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -153.92 158.26 40.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.916 0.388 . . . . 0.0 110.871 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.0 t -102.46 126.14 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -131.73 148.56 52.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.107 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -78.44 136.75 37.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.47 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 64.3 tttt -56.88 139.79 77.4 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.606 0.717 . . . . 0.0 110.858 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 54.3 Cg_endo -69.76 -19.08 36.61 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.734 2.29 . . . . 0.0 112.355 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -110.59 -23.94 5.77 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.506 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.505 ' HB3' ' CG ' ' A' ' 123' ' ' GLU . 62.5 m -121.26 81.54 37.49 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.671 0.748 . . . . 0.0 110.875 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.46 ' HD2' ' CZ3' ' A' ' 122' ' ' TRP . 53.0 Cg_endo -69.84 -1.98 9.46 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.688 2.259 . . . . 0.0 112.313 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.509 ' CD1' ' HG2' ' A' ' 123' ' ' GLU . 36.1 p90 -91.39 -17.21 26.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.509 ' HG2' ' CD1' ' A' ' 122' ' ' TRP . 0.8 OUTLIER -122.6 179.05 4.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -136.42 153.93 50.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.4 t -140.04 140.82 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.528 ' SG ' ' HB2' ' A' ' 43' ' ' ALA . 26.0 p -102.55 158.01 16.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -133.94 101.47 5.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.573 ' O ' ' CD1' ' A' ' 129' ' ' PHE . 10.9 tp -71.79 151.8 43.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 128' ' ' LEU . 27.0 m-85 -153.97 165.45 36.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -135.32 139.75 44.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.503 ' HB3' ' HB2' ' A' ' 138' ' ' ALA . 2.1 pp20? -54.02 108.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 9.5 tt -79.06 -51.68 9.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -88.42 128.12 54.28 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.58 0.705 . . . . 0.0 110.833 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -35.63 12.1 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.653 2.235 . . . . 0.0 112.337 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -55.25 -28.56 54.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' GLN . . . . . 0.461 ' O ' ' CG ' ' A' ' 136' ' ' GLN . 8.2 pt20 -129.46 118.49 19.05 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.634 0.73 . . . . 0.0 110.882 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 149.41 66.65 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.648 2.232 . . . . 0.0 112.321 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.686 ' HB1' ' CD1' ' A' ' 111' ' ' PHE . . . -47.64 -28.06 2.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.123 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -66.89 -39.24 93.35 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -59.29 -14.28 10.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.748 0.309 . . . . 0.0 111.106 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.406 HG23 ' CE2' ' A' ' 61' ' ' PHE . 89.8 mt -89.15 -55.15 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.85 ' HA ' HD12 ' A' ' 145' ' ' ILE . 2.6 m -62.53 -32.98 57.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 54.6 m -61.23 -49.11 78.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.186 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -60.95 -34.14 74.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.85 HD12 ' HA ' ' A' ' 142' ' ' VAL . 64.5 mt -61.37 -66.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 54.0 p -52.85 -28.11 21.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -71.49 -42.67 67.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 33.2 t -93.64 -60.57 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.841 HD13 HG23 ' A' ' 85' ' ' VAL . 1.1 mm? -53.05 -65.83 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 6.2 mp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.912 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.1 mt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.778 0.323 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -48.18 -47.03 35.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -74.8 -62.91 1.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.36 145.33 0.39 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.451 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.22 122.07 36.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.821 0.343 . . . . 0.0 111.077 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.94 125.88 25.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.414 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 29.7 p -156.45 168.43 27.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.3 m -85.15 131.83 34.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.2 m -113.92 173.38 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.119 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.644 ' C ' HD13 ' A' ' 24' ' ' LEU . 1.5 tm? -105.29 109.75 21.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.487 ' N ' HD13 ' A' ' 24' ' ' LEU . 39.4 t80 -80.95 110.56 16.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.708 HD12 ' HG ' ' A' ' 128' ' ' LEU . 74.1 mt -80.07 -70.9 0.48 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.2 t -175.05 142.89 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 t -101.93 116.99 33.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.4 t -101.42 138.63 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.13 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -64.07 119.48 10.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.867 HG21 ' HB1' ' A' ' 39' ' ' ALA . 56.1 p -115.79 42.51 2.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.134 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -51.81 -47.02 64.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.3 t -87.93 -26.44 22.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.833 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mt -87.35 164.92 15.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.8 t -175.1 164.02 3.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.02 -133.27 36.86 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.481 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -46.14 1.33 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.661 2.241 . . . . 0.0 112.318 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 41' ' ' ALA . 1.0 OUTLIER -46.09 -66.41 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.917 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.867 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -36.19 -45.63 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.2 t -59.31 -41.35 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 38' ' ' GLN . . . -66.14 -47.9 72.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.5 ttt85 -48.68 -55.51 11.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.827 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.405 ' HB2' ' SG ' ' A' ' 126' ' ' CYS . . . -45.45 -56.09 5.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 p -61.16 -59.37 5.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -43.09 -39.66 2.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.0 -36.63 59.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.111 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.21 -36.93 66.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.626 ' N ' HD12 ' A' ' 48' ' ' LEU . 3.8 mp -95.72 -36.56 11.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 49.9 m -63.99 -53.23 53.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -73.85 146.8 43.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.533 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 21.7 p -147.73 153.95 43.54 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.678 0.751 . . . . 0.0 110.867 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.2 Cg_endo -69.71 162.9 83.04 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.344 -0.077 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.3 mtt85 -59.42 141.67 87.58 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.543 0.687 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 156.31 63.71 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.663 2.242 . . . . 0.0 112.358 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 48.2 m -94.46 112.69 58.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.595 0.712 . . . . 0.0 111.135 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.581 ' CB ' HD11 ' A' ' 24' ' ' LEU . 53.6 Cg_endo -69.75 166.22 28.33 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.711 2.274 . . . . 0.0 112.306 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -137.41 144.88 42.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 75.6 t -82.1 125.35 39.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.416 HG12 ' CG ' ' A' ' 72' ' ' ASP . 10.5 m -141.75 159.33 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -77.5 169.17 18.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.414 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 6.3 t80 -144.18 134.93 25.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.7 tptt -145.71 136.47 24.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.7 t -124.1 116.82 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.2 m -141.27 -175.83 4.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.7 -44.3 97.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.065 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -59.41 -20.29 53.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 133.12 -125.52 4.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.462 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 95.2 mt -130.51 137.58 55.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.914 0.388 . . . . 0.0 111.107 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.8 m -116.1 142.09 47.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.4 mt -139.06 147.49 42.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.1 m -145.28 117.24 8.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.416 ' CG ' HG12 ' A' ' 59' ' ' VAL . 29.6 t0 -110.94 137.91 47.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -80.83 -52.47 7.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 76' ' ' LYS . 23.2 mm-40 -73.53 -22.82 59.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 74' ' ' GLN . 43.2 ptt85 36.05 33.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 74' ' ' GLN . 28.4 mttm -56.23 -37.68 70.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -102.13 -38.88 7.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -166.63 154.58 9.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.59 ' CD2' ' HG3' ' A' ' 80' ' ' ARG . 32.7 t80 -101.73 169.55 8.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.84 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.59 ' HG3' ' CD2' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -34.53 134.4 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -144.86 124.81 13.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -100.81 120.07 39.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -108.43 141.39 23.13 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.715 0.769 . . . . 0.0 110.92 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 156.26 63.89 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.779 HG23 ' CD1' ' A' ' 149' ' ' LEU . 12.1 p -61.63 -26.93 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.172 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 87' ' ' SER . 2.4 t30 -63.91 -63.4 1.17 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 86' ' ' ASN . 59.7 m -36.55 -52.2 0.86 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.1 mt -62.94 93.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 70.5 p -102.19 -42.38 6.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -128.59 139.38 52.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.9 t -160.22 105.84 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.832 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.9 t -155.97 153.64 29.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.819 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.698 HG23 HG21 ' A' ' 142' ' ' VAL . 12.9 p -46.04 165.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.13 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -67.73 139.45 93.71 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.595 0.712 . . . . 0.0 110.874 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -29.57 23.34 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.626 2.217 . . . . 0.0 112.366 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -75.92 -24.82 55.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 42.0 t0 56.33 44.7 24.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -89.29 170.98 10.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.7 mmt85 -111.22 136.06 50.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.462 ' CD1' HD21 ' A' ' 26' ' ' LEU . 41.6 t-105 -98.48 104.55 16.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.8 m -70.36 95.77 1.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.16 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 -47.16 161.22 0.31 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.609 0.719 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 2.56 3.44 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.357 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -102.14 -29.53 11.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 122.76 18.18 3.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.516 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.7 p -115.4 155.89 26.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.909 0.385 . . . . 0.0 111.103 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 32.8 p -106.26 155.0 19.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.4 m -152.24 175.21 12.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -89.32 138.74 31.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 86.0 mt -95.58 132.32 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.42 ' O ' ' N ' ' A' ' 129' ' ' PHE . 4.5 p90 -154.54 168.36 26.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 168.62 157.27 11.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -114.04 168.91 9.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 17.0 t -118.38 117.48 54.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.56 149.09 43.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -73.07 153.7 40.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 46.1 tttt -73.75 133.75 79.25 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.528 0.68 . . . . 0.0 110.918 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -16.36 37.38 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.653 2.235 . . . . 0.0 112.359 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -104.0 -20.94 9.96 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.472 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.408 ' HA ' ' HD2' ' A' ' 121' ' ' PRO . 3.3 m -138.16 106.34 7.98 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 0.0 110.822 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 120' ' ' SER . 53.1 Cg_endo -69.82 -5.24 15.77 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.29 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.531 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 29.5 p90 -110.96 17.08 20.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.531 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 35.4 mt-10 -139.22 115.66 10.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.28 146.73 23.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 95.4 t -134.26 125.8 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.405 ' SG ' ' HB2' ' A' ' 43' ' ' ALA . 20.7 p -93.82 142.92 26.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -115.29 103.48 10.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.708 ' HG ' HD12 ' A' ' 26' ' ' LEU . 9.3 tp -67.89 152.61 45.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.42 ' N ' ' O ' ' A' ' 111' ' ' PHE . 36.7 m-85 -158.36 174.26 15.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -155.08 139.16 16.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.413 ' O ' ' CD ' ' A' ' 131' ' ' GLU . 2.2 pp20? -52.28 117.83 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.9 tt -91.52 -58.77 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -86.69 130.84 47.39 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.624 0.725 . . . . 0.0 110.852 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -12.25 32.59 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.36 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 136' ' ' GLN . 5.5 p-10 -73.8 -21.29 60.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' GLN . . . . . 0.476 ' N ' ' OD1' ' A' ' 135' ' ' ASP . 21.5 mm-40 -140.81 104.92 6.28 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.589 0.709 . . . . 0.0 110.941 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 136' ' ' GLN . 54.0 Cg_endo -69.69 144.1 53.32 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.66 2.24 . . . . 0.0 112.408 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -39.4 -49.48 2.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.1 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -45.69 -58.55 5.34 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.468 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -45.79 -39.01 7.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 67.3 mt -67.59 -69.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.698 HG21 HG23 ' A' ' 93' ' ' THR . 3.4 m -43.61 -46.23 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 30.6 m -59.35 -51.5 69.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.162 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -53.7 -36.82 62.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 92.0 mt -62.82 -73.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.091 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' THR . . . . . 0.563 HG22 HD13 ' A' ' 150' ' ' LEU . 73.1 p -49.05 -32.38 9.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -55.2 -50.93 68.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.799 HG13 HD22 ' A' ' 149' ' ' LEU . 9.1 p -94.96 -53.2 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.799 HD22 HG13 ' A' ' 148' ' ' VAL . 3.9 mm? -51.72 -70.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.563 HD13 HG22 ' A' ' 146' ' ' THR . 6.7 mp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.762 0.315 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -32.28 58.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.474 ' HG2' ' N ' ' A' ' 18' ' ' GLY . 52.9 tt0 -64.91 163.51 14.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.474 ' N ' ' HG2' ' A' ' 17' ' ' GLN . . . -159.96 132.56 3.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.473 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.01 120.03 37.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.04 120.9 18.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.1 t -159.54 177.33 11.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.429 ' O ' HD22 ' A' ' 132' ' ' LEU . 35.0 m -88.34 129.16 35.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.2 m -115.06 179.45 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.685 HD12 ' HB3' ' A' ' 130' ' ' ALA . 3.5 tm? -111.69 123.91 51.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -95.11 116.64 28.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.441 HD22 ' CD2' ' A' ' 100' ' ' TRP . 19.9 mt -85.91 -71.11 0.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.3 t -174.19 150.77 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.2 p -115.15 114.39 25.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.9 t -98.98 123.87 51.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.185 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -53.0 129.15 29.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.934 HG21 ' HB1' ' A' ' 39' ' ' ALA . 16.1 p -119.53 36.32 4.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.094 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 31' ' ' THR . 12.2 pt-20 -35.66 -49.71 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.5 t -93.71 -27.57 16.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -76.69 139.97 40.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.4 p -151.15 166.53 30.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.79 -154.11 52.99 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.513 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -9.98 27.42 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.692 2.262 . . . . 0.0 112.319 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -79.07 -36.15 41.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.934 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -64.73 -26.16 68.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.075 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.601 HG12 ' OD1' ' A' ' 94' ' ' ASP . 57.5 t -79.2 -40.88 22.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.13 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.66 -49.04 76.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.093 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -46.89 -60.14 2.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.36 -53.61 2.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.075 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m -45.77 -63.67 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.86 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 m -47.03 -43.36 19.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.79 -28.04 68.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.084 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.86 -54.62 17.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.072 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.493 ' N ' HD12 ' A' ' 48' ' ' LEU . 6.4 mp -75.17 -32.11 61.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.923 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.9 t -64.89 -39.06 92.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 23.6 t -60.5 139.14 57.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.513 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 3.1 m -146.82 128.74 7.53 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.696 0.76 . . . . 0.0 110.887 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.6 Cg_endo -69.78 143.5 74.08 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.36 0.042 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 52' ' ' PRO . 23.3 ptt85 -34.45 151.08 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.562 0.696 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 149.9 67.37 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.311 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 37.4 m -95.04 104.96 16.54 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.613 0.721 . . . . 0.0 111.158 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 173.27 11.2 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.367 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.84 156.54 42.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.459 HG12 ' CD1' ' A' ' 132' ' ' LEU . 1.2 m -91.14 129.0 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.7 m -144.27 152.22 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -75.67 148.15 38.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -136.01 143.4 44.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -145.46 150.41 36.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.7 t -119.97 115.49 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.7 m -134.64 171.37 14.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.32 -33.19 75.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.142 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -66.8 -11.42 55.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 131.68 -126.92 4.85 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.476 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.5 mt -130.22 130.11 65.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.917 0.389 . . . . 0.0 111.132 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.5 m -111.26 136.63 50.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 55.6 mt -128.05 141.81 51.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 32.2 m -134.05 125.56 28.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -115.5 134.04 55.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -99.57 -30.67 12.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.424 ' O ' ' C ' ' A' ' 75' ' ' ARG . 37.1 mm-40 -78.74 -4.75 50.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 74' ' ' GLN . 68.6 mtp180 35.03 39.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -79.02 -50.39 11.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -98.39 -43.52 6.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -168.63 120.71 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -45.46 -69.13 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.848 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -143.67 156.75 44.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -163.96 130.93 3.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.845 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 37.6 t-80 -114.45 138.66 50.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -124.04 143.2 41.78 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.715 0.769 . . . . 0.0 110.911 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 172.2 13.12 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.713 2.275 . . . . 0.0 112.298 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.808 HG23 HD13 ' A' ' 149' ' ' LEU . 12.6 p -87.75 -21.09 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -74.11 -37.18 64.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.483 ' O ' HG23 ' A' ' 89' ' ' THR . 74.5 p -57.47 -51.6 68.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 50.6 mt -61.3 97.78 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.19 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 87' ' ' SER . 71.9 p -101.7 -10.04 20.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -157.54 147.68 20.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.518 ' O ' HG22 ' A' ' 146' ' ' THR . 4.8 t -172.8 110.12 0.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.85 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.1 t -161.16 146.61 14.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.821 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.643 HG23 HG21 ' A' ' 142' ' ' VAL . 0.8 OUTLIER -41.42 151.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.113 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.601 ' OD1' HG12 ' A' ' 40' ' ' VAL . 8.5 t70 -60.13 132.92 90.14 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.593 0.711 . . . . 0.0 110.845 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -43.78 2.46 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.678 2.252 . . . . 0.0 112.369 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -50.58 -19.95 1.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.2 t70 54.27 30.84 13.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -78.43 159.74 28.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 58.1 mmt-85 -107.73 153.19 23.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.441 ' CD2' HD22 ' A' ' 26' ' ' LEU . 64.1 t-105 -113.27 111.2 21.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.8 m -77.91 94.21 4.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.161 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -48.19 157.87 0.63 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.683 0.754 . . . . 0.0 110.835 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -2.82 10.83 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.711 2.274 . . . . 0.0 112.314 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -94.2 -39.02 10.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.873 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 129.81 45.32 0.17 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.522 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.7 p -146.55 152.45 38.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 111.15 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 72.4 p -102.8 150.78 23.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.3 m -151.47 166.03 32.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -83.24 151.32 25.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 62.9 mt -106.23 138.97 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.157 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 129' ' ' PHE . 7.1 p90 -156.28 164.62 38.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -179.25 -161.21 26.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.48 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 1.5 p90 -154.97 164.05 39.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 110.864 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 1.7 t -114.65 127.18 72.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.123 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -143.06 152.13 41.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 19.2 mttm -64.96 125.36 24.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.476 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 10.7 ttmm -40.99 139.98 1.15 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.579 0.704 . . . . 0.0 110.907 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 54.0 Cg_endo -69.78 -15.83 37.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.7 2.267 . . . . 0.0 112.358 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -107.01 -13.94 20.26 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.495 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.437 ' HA ' ' HD2' ' A' ' 121' ' ' PRO . 6.6 m -149.11 105.05 3.36 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.698 0.761 . . . . 0.0 110.806 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 120' ' ' SER . 53.4 Cg_endo -69.83 -21.4 33.24 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.294 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.513 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 33.0 p90 -84.31 18.75 2.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.934 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.513 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 36.2 mt-10 -141.24 169.81 16.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -137.73 143.55 41.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 2.4 p -150.62 112.21 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.126 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.451 ' SG ' HG22 ' A' ' 40' ' ' VAL . 48.9 t -82.61 138.69 34.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -106.1 109.12 20.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.3 tp -70.39 148.11 48.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.955 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' A' ' 111' ' ' PHE . 15.6 m-85 -147.24 173.08 12.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.685 ' HB3' HD12 ' A' ' 24' ' ' LEU . . . -145.58 156.1 43.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -64.93 129.11 38.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.459 ' CD1' HG12 ' A' ' 58' ' ' VAL . 8.3 tt -107.71 -45.09 4.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.68 141.54 26.88 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.616 0.722 . . . . 0.0 110.854 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -50.88 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.725 2.283 . . . . 0.0 112.379 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -42.59 -32.35 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -130.85 90.49 39.73 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.587 0.708 . . . . 0.0 110.858 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 177.54 5.47 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.696 2.264 . . . . 0.0 112.314 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.83 -48.84 51.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -51.83 -32.31 33.2 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -68.19 -26.99 66.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.723 0.296 . . . . 0.0 111.086 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 142' ' ' VAL . 58.1 mt -82.74 -73.62 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.169 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.643 HG21 HG23 ' A' ' 93' ' ' THR . 9.9 m -37.6 -40.14 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 5.8 m -56.25 -70.39 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' PHE . . . . . 0.683 ' CE1' HG21 ' A' ' 148' ' ' VAL . 11.7 t80 -42.96 -36.01 1.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 54.5 mt -63.6 -67.26 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' THR . . . . . 0.631 HG23 ' O ' ' A' ' 142' ' ' VAL . 6.1 p -51.65 -30.5 21.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -71.01 -48.52 52.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.683 HG21 ' CE1' ' A' ' 144' ' ' PHE . 67.4 t -88.46 -69.37 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.808 HD13 HG23 ' A' ' 85' ' ' VAL . 2.2 mm? -44.23 -64.37 0.69 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 146' ' ' THR . 12.1 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.0 mt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.823 0.344 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -42.71 -40.33 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -52.27 -63.73 1.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.9 119.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.23 120.53 30.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.88 118.79 8.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.472 ' HB2' ' NE2' ' A' ' 136' ' ' GLN . 2.1 t -157.8 178.22 10.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 74.8 m -86.54 137.41 32.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.529 HG22 ' HB2' ' A' ' 61' ' ' PHE . 30.7 m -123.49 -177.05 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.177 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.649 ' C ' HD13 ' A' ' 24' ' ' LEU . 3.0 tm? -113.89 114.84 26.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.542 ' HA ' ' CD2' ' A' ' 129' ' ' PHE . 15.2 t80 -85.66 115.52 23.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.625 HD21 ' HB2' ' A' ' 130' ' ' ALA . 75.2 mt -82.17 -70.54 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.6 t -172.22 137.26 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.1 m -95.89 113.88 25.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.463 HG21 ' HA ' ' A' ' 43' ' ' ALA . 58.9 t -100.66 138.02 26.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.153 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -69.73 116.05 9.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.563 HG21 ' HB1' ' A' ' 39' ' ' ALA . 66.5 p -111.98 36.98 3.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.142 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 31' ' ' THR . 5.1 pt-20 -35.46 -49.43 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -92.03 -41.04 10.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -65.54 136.95 57.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -156.58 161.99 39.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.92 -154.6 43.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.494 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 53.3 Cg_endo -69.78 -1.86 9.21 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.301 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -88.94 -45.9 9.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.563 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -49.92 -46.02 51.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.0 t -53.0 -39.71 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.88 -57.99 8.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.2 ttt85 -39.85 -58.8 1.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.463 ' HA ' HG21 ' A' ' 29' ' ' VAL . . . -52.42 -45.01 65.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.075 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.614 ' OG ' HD11 ' A' ' 128' ' ' LEU . 3.3 m -66.78 -67.64 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.458 ' O ' ' CB ' ' A' ' 49' ' ' SER . 2.0 m -41.89 -36.15 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.61 -39.68 51.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.53 -34.7 59.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.087 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 mt -99.24 -36.69 9.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 45' ' ' SER . 30.8 t -63.87 -53.17 54.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -70.8 147.74 48.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.548 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 38.8 p -153.68 153.3 28.72 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.67 0.747 . . . . 0.0 110.859 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.1 Cg_endo -69.76 133.6 26.27 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.326 -0.022 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.2 ptp85 -41.78 148.88 0.43 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.621 0.724 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 171.71 14.02 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.708 2.272 . . . . 0.0 112.309 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 98.2 m -103.82 116.0 62.47 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.556 0.693 . . . . 0.0 111.162 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 -179.77 3.18 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.654 2.236 . . . . 0.0 112.322 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -157.55 152.17 25.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.427 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 90.4 t -91.39 114.67 29.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.7 m -127.03 174.16 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -93.08 141.12 28.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.529 ' HB2' HG22 ' A' ' 23' ' ' VAL . 14.2 t80 -122.74 138.81 54.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -150.1 150.42 31.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 71.7 t -136.21 118.16 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 67' ' ' GLY . 5.6 t -138.95 159.4 42.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -42.67 -25.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -84.63 23.32 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 64' ' ' SER . . . 92.04 -135.44 12.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.488 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.505 HD12 ' CE2' ' A' ' 113' ' ' PHE . 87.3 mt -119.63 146.25 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 111.152 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.8 m -130.39 120.07 23.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.197 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 35.4 mt -112.28 128.92 56.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.0 m -117.03 154.28 31.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 79' ' ' PHE . 10.0 t0 -138.12 148.98 45.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -111.34 -43.15 3.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.427 ' NE2' ' O ' ' A' ' 58' ' ' VAL . 0.8 OUTLIER -72.52 -10.75 60.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 74' ' ' GLN . 71.5 mtt180 36.32 47.28 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 47.3 mmtt -80.91 -41.37 23.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 mt -118.36 -38.57 3.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.439 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 26.8 p90 -158.8 139.25 12.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 72' ' ' ASP . 10.7 t80 -75.49 -73.17 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -142.34 126.86 17.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.853 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.4 mmt85 -121.76 125.96 47.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -116.35 128.4 55.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -118.82 141.4 29.99 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.668 0.747 . . . . 0.0 110.924 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 157.35 60.66 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.701 2.268 . . . . 0.0 112.318 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.522 HG23 HD13 ' A' ' 149' ' ' LEU . 1.5 p -61.34 -25.85 37.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.168 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -73.66 -45.06 54.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.5 m -45.52 -55.36 6.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.806 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 15.8 mt -63.06 112.04 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 76.5 p -100.85 -41.44 6.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 37' ' ' PRO . 39.9 t80 -133.02 157.38 45.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.1 t -153.23 112.44 3.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.409 ' C ' HG11 ' A' ' 142' ' ' VAL . 40.9 t -152.81 143.89 23.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.835 HG22 ' HB2' ' A' ' 111' ' ' PHE . 35.2 p -57.32 -79.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -150.15 120.46 3.86 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.587 0.708 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -22.69 31.78 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.716 2.277 . . . . 0.0 112.358 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -91.11 -31.42 16.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 30.2 t0 73.92 54.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.3 mmp_? -109.14 168.41 9.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -103.65 150.79 23.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.545 ' CE2' HD22 ' A' ' 26' ' ' LEU . 35.2 t-105 -102.83 109.58 21.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.2 m -78.49 91.5 4.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.178 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -49.86 157.24 1.09 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.611 0.72 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -7.42 21.0 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.679 2.253 . . . . 0.0 112.361 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -84.72 -34.56 22.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 123.98 39.04 0.51 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.536 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.0 t -143.7 161.45 38.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.841 0.353 . . . . 0.0 111.169 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.7 p -105.41 145.88 30.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 86.3 p -139.42 172.16 13.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -86.05 130.46 34.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 27.8 mt -85.98 137.36 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.835 ' HB2' HG22 ' A' ' 93' ' ' THR . 1.2 p90 -164.07 149.52 10.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -170.52 -170.67 35.08 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.505 ' CE2' HD12 ' A' ' 68' ' ' ILE . 4.0 p90 -147.55 172.48 13.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.902 0.382 . . . . 0.0 110.859 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.401 HG22 ' SG ' ' A' ' 126' ' ' CYS . 12.8 t -119.54 132.0 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.154 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -144.48 143.69 30.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -74.28 151.05 39.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.47 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 35.2 tttt -66.29 139.69 96.46 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.618 0.723 . . . . 0.0 110.864 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 54.1 Cg_endo -69.78 -8.42 23.56 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.716 2.278 . . . . 0.0 112.349 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -121.55 -29.01 1.5 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.432 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.3 m -118.65 84.15 23.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.606 0.717 . . . . 0.0 110.831 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -6.52 18.81 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.663 2.242 . . . . 0.0 112.33 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 3.3 p90 -88.85 0.84 56.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.698 ' OE1' HG23 ' A' ' 125' ' ' VAL . 0.0 OUTLIER -140.44 160.71 39.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -118.22 145.05 45.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.698 HG23 ' OE1' ' A' ' 123' ' ' GLU . 98.6 t -130.42 114.86 29.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.409 ' HB3' HG21 ' A' ' 31' ' ' THR . 41.7 t -94.02 137.0 33.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -112.0 135.89 52.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.614 HD11 ' OG ' ' A' ' 44' ' ' SER . 4.5 tp -100.45 146.93 26.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.542 ' CD2' ' HA ' ' A' ' 25' ' ' TYR . 35.9 m-85 -148.09 173.23 13.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.625 ' HB2' HD21 ' A' ' 26' ' ' LEU . . . -138.48 159.17 42.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.106 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.442 ' HG3' ' HB2' ' A' ' 138' ' ' ALA . 21.8 mt-10 -62.22 128.91 38.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.652 HD23 ' C ' ' A' ' 132' ' ' LEU . 6.6 tt -110.65 -52.4 2.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.416 ' CG ' ' CD2' ' A' ' 132' ' ' LEU . 56.6 m-20 -116.1 141.88 28.4 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.59 0.709 . . . . 0.0 110.851 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -41.94 3.77 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -41.07 -35.12 0.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' GLN . . . . . 0.472 ' NE2' ' HB2' ' A' ' 21' ' ' CYS . 31.1 mt-30 -129.66 101.25 18.78 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.601 0.715 . . . . 0.0 110.958 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.512 ' HG2' ' HB2' ' A' ' 140' ' ' ALA . 53.5 Cg_endo -69.76 137.5 35.59 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.715 2.276 . . . . 0.0 112.324 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.759 ' HA ' HD12 ' A' ' 141' ' ' ILE . . . -39.99 -43.42 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -59.46 -53.09 49.06 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.528 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.512 ' HB2' ' HG2' ' A' ' 137' ' ' PRO . . . -48.66 -24.37 1.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.762 0.315 . . . . 0.0 111.072 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.759 HD12 ' HA ' ' A' ' 138' ' ' ALA . 33.7 mt -76.83 -73.55 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.801 HG21 HG23 ' A' ' 93' ' ' THR . 5.7 m -41.7 -53.02 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.515 ' H ' HG23 ' A' ' 142' ' ' VAL . 97.4 m -47.53 -67.58 0.26 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.179 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -40.96 -47.05 2.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 142' ' ' VAL . 68.2 mt -53.47 -59.82 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.154 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 146' ' ' THR . . . . . 0.594 ' HB ' HD12 ' A' ' 150' ' ' LEU . 74.2 p -53.45 -33.78 55.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -67.25 -39.38 86.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 32.2 t -94.47 -67.47 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.522 HD13 HG23 ' A' ' 85' ' ' VAL . 2.5 mm? -40.97 -70.64 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.594 HD12 ' HB ' ' A' ' 146' ' ' THR . 18.8 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.909 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.509 ' CD2' ' HB2' ' A' ' 65' ' ' ALA . 14.3 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.81 0.338 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.488 ' CG ' ' N ' ' A' ' 17' ' ' GLN . 20.5 ptt85 -49.74 -47.78 50.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.488 ' N ' ' CG ' ' A' ' 16' ' ' ARG . 48.2 mm-40 -42.58 -50.01 5.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.87 117.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.85 121.86 37.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.354 . . . . 0.0 111.064 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.67 137.59 25.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.3 p -163.33 172.42 14.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -85.06 131.92 34.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.6 m -117.84 166.42 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.175 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.745 HD11 ' CB ' ' A' ' 56' ' ' PRO . 2.3 tm? -95.44 111.95 23.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.421 ' N ' HD13 ' A' ' 24' ' ' LEU . 15.5 t80 -77.28 99.24 5.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.523 HD11 ' HB2' ' A' ' 130' ' ' ALA . 66.6 mt -74.36 -71.33 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.5 t -174.66 174.19 2.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.5 t -139.88 122.19 15.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.9 t -105.62 135.54 43.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.177 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -66.96 121.02 14.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.736 HG21 ' HB1' ' A' ' 39' ' ' ALA . 29.4 p -114.22 39.4 2.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 31' ' ' THR . 8.5 pt-20 -35.11 -46.24 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.0 t -96.08 -36.25 11.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 31' ' ' THR . 2.1 mm? -71.23 145.3 49.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.1 t -165.05 163.43 20.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.56 -154.02 45.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.467 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 3.32 2.81 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.242 . . . . 0.0 112.365 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -98.02 -42.97 7.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.736 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -55.86 -41.25 74.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.2 t -63.62 -49.33 82.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.429 ' HB2' ' HG2' ' A' ' 95' ' ' PRO . . . -54.73 -26.73 35.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -73.63 -58.6 3.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.3 -44.35 23.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.458 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 31.3 m -58.45 -55.01 40.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.8 t -57.18 -54.08 50.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -44.44 -27.61 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 44' ' ' SER . . . -66.48 -55.6 14.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.058 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.546 ' H ' HD12 ' A' ' 48' ' ' LEU . 5.2 mp -70.67 -38.81 73.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.1 t -65.69 -49.8 67.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 50.7 t -64.29 138.07 58.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.553 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 33.0 p -150.29 144.68 17.73 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.619 0.724 . . . . 0.0 110.854 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.7 Cg_endo -69.81 130.15 16.14 Favored 'Cis proline' 0 C--N 1.341 0.143 0 C-N-CA 122.631 -1.82 . . . . 0.0 112.362 -0.021 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.463 ' N ' ' HA ' ' A' ' 51' ' ' SER . 9.3 ptp180 -34.55 145.26 0.18 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.628 0.727 . . . . 0.0 110.856 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 152.06 68.95 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.1 m -88.69 114.17 58.77 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.549 0.69 . . . . 0.0 111.131 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.745 ' CB ' HD11 ' A' ' 24' ' ' LEU . 54.0 Cg_endo -69.74 155.39 66.14 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.702 2.268 . . . . 0.0 112.357 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -136.96 152.83 50.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.1 m -84.17 138.36 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.0 m -144.41 -176.73 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 18.0 t-80 -105.41 149.09 26.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -132.89 136.61 46.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.3 tttt -148.34 133.83 18.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 40.7 t -122.95 118.22 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.4 t -139.25 175.27 9.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.83 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.509 ' HB2' ' CD2' ' A' ' 15' ' ' LEU . . . -54.88 -23.37 18.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.116 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -86.84 24.81 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.471 ' HA2' HD11 ' A' ' 149' ' ' LEU . . . 91.0 -125.32 7.94 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 71.4 mt -130.27 145.12 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.977 0.417 . . . . 0.0 111.078 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 m -131.15 115.46 16.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.6 mt -113.82 132.53 55.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 42.1 m -116.66 147.66 41.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.172 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.544 ' OD2' ' CZ ' ' A' ' 78' ' ' PHE . 3.2 m-20 -139.34 136.62 35.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -101.8 -35.44 9.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.701 ' NE2' ' H ' ' A' ' 76' ' ' LYS . 1.1 pp0? -50.27 -19.96 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 74' ' ' GLN . 67.5 mtm180 37.51 27.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.701 ' H ' ' NE2' ' A' ' 74' ' ' GLN . 27.5 mttt -92.51 -60.93 1.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 77' ' ' LEU . 2.1 mm? -79.64 -49.97 11.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.544 ' CZ ' ' OD2' ' A' ' 72' ' ' ASP . 33.3 p90 -155.77 153.15 29.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -80.98 -70.1 0.56 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -150.93 150.02 30.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.508 ' HB3' ' CE1' ' A' ' 83' ' ' TYR . 3.5 mmm180 -136.37 124.83 23.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -107.12 118.89 37.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.508 ' CE1' ' HB3' ' A' ' 81' ' ' ARG . 4.4 m-85 -110.97 113.69 54.68 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.64 0.733 . . . . 0.0 110.926 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 83' ' ' TYR . 53.5 Cg_endo -69.74 148.24 64.76 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.731 2.288 . . . . 0.0 112.366 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.873 HG23 HD13 ' A' ' 149' ' ' LEU . 9.8 p -51.71 -31.56 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 87' ' ' SER . 6.7 m-20 -67.26 -67.87 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 86' ' ' ASN . 99.0 p -34.89 -56.75 0.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.801 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 13.5 mt -57.91 106.29 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.8 t -114.85 -7.72 12.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.156 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -153.23 137.1 16.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.5 ' O ' ' CG2' ' A' ' 146' ' ' THR . 47.1 t -163.0 120.23 1.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.9 m -172.37 151.73 2.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.861 HG23 HG21 ' A' ' 142' ' ' VAL . 35.7 p -53.45 160.42 1.21 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.171 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.496 ' OD2' ' N ' ' A' ' 98' ' ' ARG . 36.8 p-10 -47.89 117.5 5.48 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.624 0.726 . . . . 0.0 110.852 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.429 ' HG2' ' HB2' ' A' ' 41' ' ' ALA . 54.0 Cg_endo -69.72 -8.44 23.6 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.727 2.284 . . . . 0.0 112.335 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -102.88 21.16 16.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.7 t70 37.29 47.89 0.74 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.496 ' N ' ' OD2' ' A' ' 94' ' ' ASP . 14.4 tpp180 -83.93 160.14 21.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 26.7 mmt85 -131.28 148.49 52.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.417 ' CD2' HD22 ' A' ' 26' ' ' LEU . 74.4 t-105 -111.23 103.65 12.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.4 m -66.28 111.37 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.126 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -68.38 158.99 83.13 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.635 0.731 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 0.72 5.24 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.68 2.253 . . . . 0.0 112.333 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -94.55 -39.26 10.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 128.68 42.44 0.24 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.2 p -145.59 170.7 15.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 111.205 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 77.1 p -114.12 144.08 43.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.107 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.5 m -129.13 169.67 14.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.459 ' HD2' ' HB3' ' A' ' 138' ' ' ALA . 19.9 ttmm -92.81 128.79 38.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 53.6 mt -93.25 136.04 26.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.081 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.503 ' HB3' ' HB1' ' A' ' 138' ' ' ALA . 10.9 p90 -145.55 160.8 41.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -178.25 149.97 9.47 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -112.33 158.54 19.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.916 0.389 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.9 t -104.54 107.49 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -120.58 153.03 37.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.075 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -78.72 150.63 32.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -73.77 137.65 76.83 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.593 0.711 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 0.6 5.4 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -122.27 -24.99 2.1 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.445 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.404 ' HA ' ' HD2' ' A' ' 121' ' ' PRO . 36.5 m -131.51 95.16 24.34 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.654 0.74 . . . . 0.0 110.906 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 120' ' ' SER . 54.1 Cg_endo -69.72 -19.47 36.27 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.665 2.243 . . . . 0.0 112.382 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.41 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 43.9 p90 -90.01 22.24 3.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.41 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 72.1 mt-10 -144.86 163.38 34.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -140.46 141.35 35.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.6 p -147.03 123.63 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 36.3 t -86.09 156.27 20.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -118.61 118.62 32.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.452 ' HG ' HD12 ' A' ' 26' ' ' LEU . 9.8 tp -80.1 145.57 32.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.48 ' HB3' ' CE1' ' A' ' 111' ' ' PHE . 43.4 m-85 -148.98 167.18 26.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.617 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -143.29 135.25 26.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.424 ' HB3' ' N ' ' A' ' 138' ' ' ALA . 0.1 OUTLIER -52.09 109.01 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.9 tt -75.25 -49.51 19.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -92.71 145.28 30.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.628 0.728 . . . . 0.0 110.886 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -45.37 1.58 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.704 2.269 . . . . 0.0 112.295 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.72 -35.51 79.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -107.12 84.38 1.64 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.625 0.726 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 170.13 17.27 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.65 2.233 . . . . 0.0 112.374 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.681 ' HA ' HD12 ' A' ' 141' ' ' ILE . . . -60.15 -43.1 96.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -54.03 -54.4 31.62 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -49.16 -29.17 5.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.681 HD12 ' HA ' ' A' ' 138' ' ' ALA . 47.9 mt -74.61 -72.38 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.861 HG21 HG23 ' A' ' 93' ' ' THR . 20.6 m -45.74 -45.88 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.476 ' N ' HG23 ' A' ' 142' ' ' VAL . 66.7 m -48.46 -60.89 2.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -51.27 -41.97 60.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 80.5 mt -58.97 -74.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.158 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 91' ' ' SER . 30.6 p -47.89 -35.44 10.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -52.08 -50.28 61.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.639 HG13 ' N ' ' A' ' 149' ' ' LEU . 8.8 p -96.95 -53.65 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.083 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.873 HD13 HG23 ' A' ' 85' ' ' VAL . 4.0 mm? -51.9 -62.71 1.46 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 146' ' ' THR . 3.5 mm? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.739 HD23 ' HB2' ' A' ' 65' ' ' ALA . 7.1 mp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.857 0.361 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -48.6 -30.89 5.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -85.66 -55.63 3.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.38 144.97 2.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.468 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.38 124.97 33.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.777 0.322 . . . . 0.0 111.129 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.59 141.61 27.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.433 ' HB3' ' NE2' ' A' ' 136' ' ' GLN . 24.8 p -166.1 166.72 16.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.9 m -81.05 138.54 35.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.9 m -128.12 176.8 6.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.509 ' C ' HD13 ' A' ' 24' ' ' LEU . 3.4 tm? -107.04 116.11 31.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -82.3 108.72 15.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.55 HD21 ' CD1' ' A' ' 100' ' ' TRP . 66.8 mt -76.78 -71.47 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.7 t -173.52 162.68 4.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.9 p -125.7 136.63 53.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.5 t -121.87 146.81 26.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -71.47 116.49 11.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.522 HG21 ' HB1' ' A' ' 39' ' ' ALA . 18.5 p -117.29 37.36 3.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -40.11 -50.31 2.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.3 t -85.01 -49.32 8.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -58.75 137.5 57.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.937 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 79.4 p -147.42 173.44 12.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.54 -157.84 36.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 2.5 3.49 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.616 2.211 . . . . 0.0 112.367 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -84.11 -42.51 15.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.522 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -59.27 -42.79 92.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.0 t -54.52 -42.62 60.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.091 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.66 -36.3 83.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -57.94 -61.16 2.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -39.39 -63.05 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.3 m -47.49 -46.16 26.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.4 t -59.59 -34.18 72.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.71 -11.37 45.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.089 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.4 -30.81 23.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.072 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.9 mt -94.97 -27.48 15.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.0 t -79.42 -48.34 14.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 42.0 t -58.31 138.21 56.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.539 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 15.6 p -139.97 152.11 66.94 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.697 0.76 . . . . 0.0 110.842 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.5 Cg_endo -69.75 169.98 60.63 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.337 -0.067 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -46.29 145.11 2.85 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.578 0.704 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 159.43 53.48 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.689 2.259 . . . . 0.0 112.36 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.416 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 50.2 m -105.7 93.31 7.15 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.569 0.699 . . . . 0.0 111.104 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.465 ' HB2' HD11 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.8 159.46 53.28 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.692 2.261 . . . . 0.0 112.325 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -141.46 156.54 45.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.2 t -85.34 123.87 39.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.9 m -134.22 177.37 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.15 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -97.69 160.11 14.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -148.74 117.32 6.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 41.5 tttm -125.28 144.23 50.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.536 HG11 ' HD2' ' A' ' 144' ' ' PHE . 21.7 t -121.85 116.86 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 t -138.45 157.69 45.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.815 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.739 ' HB2' HD23 ' A' ' 15' ' ' LEU . . . -50.29 -21.07 1.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.095 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -89.18 19.57 4.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.923 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.56 ' HA2' HD11 ' A' ' 149' ' ' LEU . . . 97.07 -150.73 19.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.478 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 87.4 mt -109.0 143.07 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.949 0.404 . . . . 0.0 111.092 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.5 m -131.51 111.5 11.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.126 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.43 HD12 ' HE2' ' A' ' 83' ' ' TYR . 13.8 mt -99.99 152.5 20.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 22.6 m -140.53 122.35 15.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.162 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -105.4 146.92 28.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -116.88 -41.03 3.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -71.43 -16.45 62.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 33.0 mtt180 47.08 45.36 15.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -76.69 -35.23 58.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 mt -128.42 -50.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -140.66 140.27 34.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.43 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 1.8 t80 -75.65 -57.09 4.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -140.08 163.44 32.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -159.71 123.2 3.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -102.88 124.21 47.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.43 ' HE2' HD12 ' A' ' 70' ' ' LEU . 45.9 m-85 -121.23 95.7 48.47 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.701 0.763 . . . . 0.0 110.917 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 85' ' ' VAL . 53.4 Cg_endo -69.82 136.19 32.22 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.655 2.237 . . . . 0.0 112.311 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.657 HG23 HD13 ' A' ' 149' ' ' LEU . 9.7 p -33.89 -44.58 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.492 ' N ' HG13 ' A' ' 85' ' ' VAL . 76.4 m-20 -52.94 -55.89 20.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.5 m -50.01 -42.99 50.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.8 mt -80.57 124.9 38.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 62.2 p -116.85 -33.44 4.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.123 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -137.1 150.86 48.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.2 t -170.12 113.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.3 m -165.95 147.32 6.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.706 HG23 HG21 ' A' ' 142' ' ' VAL . 2.6 p -45.82 143.39 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.432 ' CG ' ' HD2' ' A' ' 95' ' ' PRO . 2.0 t70 -46.95 140.94 5.98 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.569 0.699 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.432 ' HD2' ' CG ' ' A' ' 94' ' ' ASP . 53.4 Cg_endo -69.77 -31.38 20.59 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.725 2.284 . . . . 0.0 112.324 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -76.17 -5.78 48.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 39.7 41.93 0.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -77.87 -178.38 5.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 78.5 mmt-85 -123.6 166.58 15.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.55 ' CD1' HD21 ' A' ' 26' ' ' LEU . 49.9 t-105 -126.5 110.43 13.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.0 m -75.55 91.23 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -49.18 154.38 1.42 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.608 0.718 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 0.63 5.39 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.641 2.228 . . . . 0.0 112.318 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -95.57 -36.05 11.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 125.73 54.91 0.16 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 11.6 t -162.9 156.81 20.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.843 0.354 . . . . 0.0 111.138 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 27.4 p -99.76 155.5 17.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 46.5 m -152.77 152.22 31.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -69.46 147.98 50.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 82.6 mt -108.07 131.9 57.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.134 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.463 ' O ' ' N ' ' A' ' 129' ' ' PHE . 6.8 p90 -151.08 158.97 44.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -169.4 -176.1 39.07 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.511 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.534 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 0.6 OUTLIER -143.47 168.7 19.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.913 0.387 . . . . 0.0 110.841 -179.868 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.4 t -121.53 123.52 69.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.106 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -134.82 161.14 36.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.086 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -80.4 140.25 36.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.472 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 7.7 ttmm -47.34 140.53 7.17 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.58 0.705 . . . . 0.0 110.905 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 53.6 Cg_endo -69.79 1.47 4.42 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.688 2.259 . . . . 0.0 112.351 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -137.41 3.63 3.3 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.434 ' HA ' ' HD2' ' A' ' 121' ' ' PRO . 43.0 m -158.25 105.0 1.69 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.628 0.728 . . . . 0.0 110.911 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 120' ' ' SER . 53.7 Cg_endo -69.76 -7.41 20.99 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.688 2.259 . . . . 0.0 112.363 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.449 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 19.7 p90 -96.14 2.75 53.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.449 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 42.8 mt-10 -121.69 163.09 19.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -139.8 136.93 34.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 2.0 t -135.3 109.26 10.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 52.0 t -82.27 135.81 35.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -112.26 112.46 24.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.2 tp -75.1 157.56 34.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' A' ' 111' ' ' PHE . 19.6 m-85 -152.67 172.35 16.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.463 ' HB3' HD12 ' A' ' 24' ' ' LEU . . . -144.46 157.54 44.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.142 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.449 ' HG2' ' N ' ' A' ' 138' ' ' ALA . 87.8 mt-10 -70.79 120.45 16.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 10.4 tt -97.39 -45.7 6.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.913 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.82 144.17 29.76 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.574 0.702 . . . . 0.0 110.86 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -49.85 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.641 2.227 . . . . 0.0 112.383 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -52.0 -42.55 63.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' GLN . . . . . 0.433 ' NE2' ' HB3' ' A' ' 21' ' ' CYS . 31.5 mt-30 -114.38 80.48 5.98 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.572 0.701 . . . . 0.0 110.91 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -172.13 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.751 2.301 . . . . 0.0 112.33 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.449 ' N ' ' HG2' ' A' ' 131' ' ' GLU . . . -74.53 -45.96 42.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -46.35 -47.82 16.33 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.57 -28.01 65.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 0.0 111.131 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 74.9 mt -77.4 -73.14 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.706 HG21 HG23 ' A' ' 93' ' ' THR . 6.4 m -45.74 -48.47 4.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.435 ' N ' HG23 ' A' ' 142' ' ' VAL . 75.2 m -47.9 -63.51 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' PHE . . . . . 0.536 ' HD2' HG11 ' A' ' 63' ' ' VAL . 57.8 t80 -48.76 -42.27 34.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.482 HG23 ' HG ' ' A' ' 149' ' ' LEU . 96.0 mt -59.54 -59.92 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 45.2 p -58.41 -15.32 10.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.16 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 8.5 mtpt -85.81 -42.98 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 28.8 t -92.91 -68.12 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.146 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.657 HD13 HG23 ' A' ' 85' ' ' VAL . 3.7 mm? -39.99 -70.37 0.11 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 4.7 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.867 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.866 HD21 ' HB2' ' A' ' 65' ' ' ALA . 73.1 mt . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.857 0.36 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.7 mtt85 -55.88 -19.89 13.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -84.54 -63.16 1.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.05 133.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.66 123.66 33.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 0.0 111.051 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.57 120.28 11.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.467 ' HB2' ' NE2' ' A' ' 136' ' ' GLN . 2.0 t -154.74 178.8 9.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.8 p -93.92 129.41 40.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.1 m -115.54 173.5 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.162 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.626 ' C ' HD13 ' A' ' 24' ' ' LEU . 2.3 tm? -104.51 110.85 23.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.411 ' N ' HD13 ' A' ' 24' ' ' LEU . 20.7 t80 -80.35 100.72 8.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.634 HD22 ' CD2' ' A' ' 100' ' ' TRP . 96.3 mt -69.03 -72.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 28' ' ' SER . 5.9 t -162.52 -176.0 4.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.436 ' N ' ' OG1' ' A' ' 27' ' ' THR . 61.9 p -140.22 119.87 13.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.2 t -113.96 139.51 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.145 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -75.66 119.95 20.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.584 HG21 ' HB1' ' A' ' 39' ' ' ALA . 42.1 p -114.03 42.07 2.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.129 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -42.3 -45.92 4.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -94.0 -43.1 8.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -62.36 136.16 57.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.945 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.432 HG22 ' ND2' ' A' ' 124' ' ' ASN . 33.4 p -142.81 177.39 8.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 55.4 -150.36 20.99 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.528 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.528 ' HD3' ' CE2' ' A' ' 90' ' ' PHE . 53.9 Cg_endo -69.76 -20.96 34.16 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.668 2.245 . . . . 0.0 112.363 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -63.3 -36.33 83.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.584 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -66.6 -39.08 88.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.3 t -60.74 -48.39 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.087 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.27 -33.36 74.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.131 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.5 ttt85 -57.75 -62.69 1.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.84 -35.06 30.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.07 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.1 m -65.18 -36.2 83.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.4 t -71.47 -63.49 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -38.11 -35.46 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.117 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.404 ' C ' HD13 ' A' ' 48' ' ' LEU . . . -45.8 -50.78 13.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.82 HD22 ' H ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -99.72 -33.26 10.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.1 t -63.8 -50.3 69.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.414 ' O ' ' O ' ' A' ' 51' ' ' SER . 1.4 m -84.09 24.69 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.505 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 0.4 OUTLIER -38.98 160.59 0.09 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.675 0.75 . . . . 0.0 110.856 -179.725 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 51' ' ' SER . 54.1 Cg_endo -69.75 153.36 92.92 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.354 -0.045 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.41 ' C ' ' HD2' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -55.96 142.28 65.28 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.646 0.736 . . . . 0.0 110.851 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 166.05 28.82 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 94.5 m -93.73 110.46 47.52 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.596 0.712 . . . . 0.0 111.14 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.485 ' CB ' HD11 ' A' ' 24' ' ' LEU . 53.9 Cg_endo -69.76 172.69 12.17 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.656 2.238 . . . . 0.0 112.36 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.76 154.32 29.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.07 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.455 HG13 ' CD1' ' A' ' 132' ' ' LEU . 57.5 t -89.93 119.78 37.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.3 m -131.24 159.61 42.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -74.03 151.35 40.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -133.88 142.02 47.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.793 ' O ' HG23 ' A' ' 68' ' ' ILE . 7.8 tptm -147.81 141.5 25.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 99.1 t -130.83 107.59 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.9 t -131.66 167.46 19.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.866 ' HB2' HD21 ' A' ' 15' ' ' LEU . . . -55.18 -22.04 15.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.07 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -90.21 19.45 5.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.93 -154.75 19.6 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.475 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.793 HG23 ' O ' ' A' ' 62' ' ' LYS . 70.6 mt -113.23 135.19 53.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.937 0.399 . . . . 0.0 111.075 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 62.3 m -114.34 137.84 51.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.109 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.2 mt -130.08 128.11 41.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.426 ' HA ' ' CB ' ' A' ' 80' ' ' ARG . 99.3 m -114.83 108.79 17.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.509 ' OD1' ' CZ ' ' A' ' 78' ' ' PHE . 0.6 OUTLIER -87.3 140.76 29.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -113.48 -50.41 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -56.07 -23.81 36.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.4 mtp180 43.12 34.21 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -93.02 -39.3 11.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.4 mt -102.39 -36.03 8.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.509 ' CZ ' ' OD1' ' A' ' 72' ' ' ASP . 1.3 p90 -174.92 172.07 2.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -108.35 167.56 9.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.426 ' CB ' ' HA ' ' A' ' 71' ' ' THR . 6.7 ptm180 -38.74 138.3 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 18.1 mmm-85 -133.25 128.66 36.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -101.08 115.78 31.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -107.15 121.05 45.89 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.699 0.761 . . . . 0.0 110.911 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 135.26 29.94 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.3 p -41.78 -39.81 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -52.3 -48.25 65.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.56 ' OG ' ' HB1' ' A' ' 115' ' ' ALA . 39.6 t -52.63 -57.84 8.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.8 mt -66.52 105.92 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.115 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.519 ' O ' HD13 ' A' ' 150' ' ' LEU . 74.0 p -111.39 -41.67 4.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.528 ' CE2' ' HD3' ' A' ' 37' ' ' PRO . 18.6 t80 -121.73 132.74 54.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.496 ' O ' ' CG2' ' A' ' 146' ' ' THR . 3.7 t -150.76 136.59 18.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.1 t -175.15 144.42 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.513 HG22 ' CB ' ' A' ' 111' ' ' PHE . 0.9 OUTLIER -52.37 168.18 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -60.75 123.3 73.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.592 0.711 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -31.82 19.86 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.713 2.276 . . . . 0.0 112.316 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -69.83 -1.77 10.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 42.68 35.19 0.65 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -86.33 171.3 11.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 8.2 mmt85 -117.63 155.13 30.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.634 ' CD2' HD22 ' A' ' 26' ' ' LEU . 53.1 t-105 -112.62 112.35 23.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 31.8 m -77.16 90.89 3.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -44.71 159.55 0.25 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -5.5 16.37 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.681 2.254 . . . . 0.0 112.321 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -91.72 -34.99 14.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 124.73 55.66 0.18 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.457 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.0 t -163.16 149.01 11.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.346 . . . . 0.0 111.172 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.1 p -88.66 154.4 20.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 90.4 p -149.04 151.99 35.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -69.25 131.54 45.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.481 HG23 ' CD1' ' A' ' 26' ' ' LEU . 13.6 mt -94.73 129.09 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.513 ' CB ' HG22 ' A' ' 93' ' ' THR . 9.3 p90 -150.66 166.54 30.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 177.02 -175.79 47.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.51 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -140.72 173.07 11.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.372 . . . . 0.0 110.875 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.3 t -118.39 117.04 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.56 ' HB1' ' OG ' ' A' ' 87' ' ' SER . . . -127.14 144.93 50.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -85.66 143.71 28.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 19.4 mttp -56.74 146.25 58.17 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.602 0.715 . . . . 0.0 110.912 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -29.6 23.68 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.713 2.275 . . . . 0.0 112.342 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -104.63 -11.88 29.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.488 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.425 ' HB3' ' NE1' ' A' ' 122' ' ' TRP . 37.8 m -130.14 78.91 73.86 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.702 0.763 . . . . 0.0 110.879 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -3.09 11.32 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.681 2.254 . . . . 0.0 112.369 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.425 ' NE1' ' HB3' ' A' ' 120' ' ' SER . 5.4 p90 -87.52 -26.97 22.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -115.56 149.68 37.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.432 ' ND2' HG22 ' A' ' 35' ' ' THR . 0.6 OUTLIER -110.64 151.95 27.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 5.2 t -133.95 121.99 40.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 43.2 t -98.95 138.05 36.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -110.9 128.67 55.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.532 ' HG ' HD12 ' A' ' 26' ' ' LEU . 9.1 tp -89.52 135.47 33.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -138.5 171.4 14.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.443 ' HB2' HD11 ' A' ' 26' ' ' LEU . . . -147.75 155.87 42.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.515 ' HG3' ' HB2' ' A' ' 138' ' ' ALA . 64.7 mt-10 -62.91 126.46 27.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.472 HD23 ' C ' ' A' ' 132' ' ' LEU . 9.7 tt -108.3 -47.8 3.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.434 ' CG ' ' HD2' ' A' ' 134' ' ' PRO . 9.7 t70 -114.98 139.91 24.88 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.6 0.714 . . . . 0.0 110.902 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.434 ' HD2' ' CG ' ' A' ' 133' ' ' ASP . 53.1 Cg_endo -69.79 -32.81 17.73 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.325 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -50.96 -36.82 40.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' GLN . . . . . 0.467 ' NE2' ' HB2' ' A' ' 21' ' ' CYS . 26.0 mt-30 -127.91 96.27 32.42 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.602 0.715 . . . . 0.0 110.911 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 136' ' ' GLN . 53.6 Cg_endo -69.82 149.74 66.9 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.515 ' HB2' ' HG3' ' A' ' 131' ' ' GLU . . . -53.22 -32.82 50.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -62.25 -42.76 99.71 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.478 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.82 -31.0 71.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.742 0.306 . . . . 0.0 111.069 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 80.0 mt -71.61 -72.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.523 HG23 ' H ' ' A' ' 143' ' ' THR . 4.5 m -40.59 -53.51 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.523 ' H ' HG23 ' A' ' 142' ' ' VAL . 92.5 m -50.67 -70.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 144' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 143' ' ' THR . 14.0 t80 -37.67 -42.21 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.623 HG23 ' CB ' ' A' ' 149' ' ' LEU . 72.9 mt -65.98 -65.6 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 146' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 91' ' ' SER . 4.5 p -52.11 -14.25 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -83.02 -61.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.627 HG13 ' N ' ' A' ' 149' ' ' LEU . 13.6 p -97.21 -53.02 8.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.627 ' N ' HG13 ' A' ' 148' ' ' VAL . 1.8 mm? -52.44 -21.87 4.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.519 HD13 ' O ' ' A' ' 89' ' ' THR . 9.1 tp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.511 HD21 HG21 ' A' ' 148' ' ' VAL . 37.5 mt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.769 0.318 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -42.38 -44.86 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -62.09 -50.73 70.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.01 114.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.57 119.63 39.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.781 0.324 . . . . 0.0 111.057 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.834 ' HB2' ' HG2' ' A' ' 62' ' ' LYS . . . -141.18 128.56 21.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 t -162.43 169.09 21.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.1 m -90.91 122.32 33.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.824 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.4 m -108.2 -174.8 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.13 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.713 HD11 ' HB2' ' A' ' 56' ' ' PRO . 2.3 tm? -107.5 113.28 26.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.483 ' N ' HD13 ' A' ' 24' ' ' LEU . 48.9 t80 -80.15 103.66 10.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.576 HD12 ' HG ' ' A' ' 128' ' ' LEU . 71.4 mt -73.09 -69.13 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.9 t -172.79 171.09 4.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.5 t -127.42 135.08 49.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.783 HG21 ' HA ' ' A' ' 43' ' ' ALA . 55.9 t -119.66 143.28 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.152 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -77.79 116.51 18.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.622 HG21 ' HB1' ' A' ' 39' ' ' ALA . 72.5 p -116.86 44.3 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.135 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -43.1 -42.53 4.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 t -99.79 -34.3 10.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.409 ' O ' HG23 ' A' ' 35' ' ' THR . 2.2 mm? -71.48 135.42 47.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 34' ' ' LEU . 40.4 p -156.59 141.38 17.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.27 -151.67 18.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -16.7 37.66 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.691 2.261 . . . . 0.0 112.391 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -78.49 -45.0 23.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.622 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -54.92 -42.01 71.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.8 t -61.17 -44.7 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.33 -53.41 57.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.081 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -42.12 -65.0 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.783 ' HA ' HG21 ' A' ' 29' ' ' VAL . . . -39.9 -48.89 2.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.087 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.435 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 61.2 m -60.81 -57.31 13.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.836 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.7 t -43.79 -49.2 8.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.47 -29.39 68.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.134 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 44' ' ' SER . . . -59.61 -45.32 92.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.551 ' N ' HD12 ' A' ' 48' ' ' LEU . 5.7 mp -85.1 -36.9 20.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.7 t -64.32 -53.24 51.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.6 p -55.4 147.9 16.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.527 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 20.7 p -150.79 153.79 34.02 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.669 0.747 . . . . 0.0 110.905 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 51' ' ' SER . 54.1 Cg_endo -69.76 166.71 73.34 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.391 -0.033 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -43.55 138.52 2.88 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.572 0.701 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 159.97 51.42 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.621 2.214 . . . . 0.0 112.312 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.4 m -104.21 94.18 6.48 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.521 0.677 . . . . 0.0 111.128 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.713 ' HB2' HD11 ' A' ' 24' ' ' LEU . 53.9 Cg_endo -69.76 156.36 63.53 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -137.39 156.03 48.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.0 m -86.89 138.68 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.3 m -143.8 172.77 6.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -86.27 132.77 33.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.548 ' CE1' HG23 ' A' ' 141' ' ' ILE . 11.0 t80 -118.81 123.57 45.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.834 ' HG2' ' HB2' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -148.43 147.98 29.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.5 t -125.66 121.03 59.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.165 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.5 p -135.64 169.13 18.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.55 -18.87 21.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.099 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 14.0 mt-30 -83.67 -15.44 48.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 127.63 -143.57 14.46 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.533 HG12 HD11 ' A' ' 88' ' ' ILE . 16.7 mm -103.64 136.58 35.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 111.134 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.8 m -119.31 130.14 55.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 24.5 mt -128.83 145.37 51.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.419 HG22 ' N ' ' A' ' 72' ' ' ASP . 78.2 m -138.34 154.77 48.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.419 ' N ' HG22 ' A' ' 71' ' ' THR . 8.3 t70 -135.8 150.65 49.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -115.4 -49.38 2.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -65.35 -7.57 14.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 39.23 43.41 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -77.69 -54.69 6.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.5 mt -101.29 -50.89 3.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -145.78 158.51 43.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -86.84 -55.81 3.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.1 ptt-85 -158.77 151.8 22.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.946 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.43 ' NE ' ' HA ' ' A' ' 81' ' ' ARG . 4.6 mmp_? -149.35 123.59 9.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -119.51 130.36 55.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -119.93 143.35 35.07 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.683 0.754 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.406 ' HA ' ' O ' ' A' ' 66' ' ' GLN . 53.4 Cg_endo -69.78 171.56 14.28 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.7 2.266 . . . . 0.0 112.332 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.67 HG23 ' CD1' ' A' ' 149' ' ' LEU . 11.0 p -73.61 -24.34 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 87' ' ' SER . 35.2 t-20 -72.25 -52.8 14.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 86' ' ' ASN . 91.1 p -37.13 -49.19 0.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.533 HD11 HG12 ' A' ' 68' ' ' ILE . 12.1 mt -68.41 109.62 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.158 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.425 ' O ' HD21 ' A' ' 150' ' ' LEU . 38.6 p -105.98 -31.76 8.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.431 ' CG ' ' N ' ' A' ' 91' ' ' SER . 62.5 t80 -135.76 169.01 18.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.431 ' N ' ' CG ' ' A' ' 90' ' ' PHE . 1.2 m -175.24 129.81 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.8 t -175.94 144.63 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.716 HG23 HG21 ' A' ' 142' ' ' VAL . 10.6 p -57.37 167.19 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.099 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -58.94 128.27 84.5 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.613 0.72 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.417 ' HG2' ' NE2' ' A' ' 96' ' ' GLN . 53.8 Cg_endo -69.7 -47.09 1.02 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.727 2.285 . . . . 0.0 112.355 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.417 ' NE2' ' HG2' ' A' ' 95' ' ' PRO . 15.4 mp0 -54.9 -25.29 28.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.0 t70 62.37 32.25 16.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -82.41 159.7 22.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -104.2 139.62 38.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.574 ' CD1' HD21 ' A' ' 26' ' ' LEU . 68.7 t-105 -101.43 114.92 29.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.5 m -76.15 93.97 3.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.112 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -58.12 157.53 16.26 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.615 0.721 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -3.49 12.11 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.658 2.239 . . . . 0.0 112.395 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -94.75 8.83 41.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.59 51.28 9.74 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 34.9 p -155.15 152.41 29.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 111.127 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 53.7 p -100.67 154.66 18.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.144 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 72.7 m -155.26 166.81 32.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -84.68 150.71 24.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 61.5 mt -101.59 143.99 13.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.165 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.766 ' HB3' ' HB1' ' A' ' 138' ' ' ALA . 3.1 p90 -159.21 152.69 22.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -163.05 170.4 38.52 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.513 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.535 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -129.36 167.63 17.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.905 0.383 . . . . 0.0 110.861 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.7 t -124.16 103.43 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.51 161.87 21.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -77.3 151.7 34.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -63.24 148.45 93.13 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.635 0.731 . . . . 0.0 110.891 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -22.61 31.99 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.702 2.268 . . . . 0.0 112.372 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -107.59 -32.63 3.33 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.8 m -117.66 108.6 42.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.621 0.724 . . . . 0.0 110.859 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -2.78 10.75 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.732 2.288 . . . . 0.0 112.329 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 35.2 p90 -113.42 1.27 15.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -112.74 108.05 16.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -90.45 141.06 29.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 94.3 t -137.07 118.53 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.748 ' SG ' ' HB2' ' A' ' 43' ' ' ALA . 14.2 p -84.63 123.17 30.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' HIS . . . . . 0.435 ' HB2' ' CE1' ' A' ' 113' ' ' PHE . 86.8 m-70 -96.74 110.0 22.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.576 ' HG ' HD12 ' A' ' 26' ' ' LEU . 11.4 tp -75.95 148.5 38.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.411 ' HB3' ' CE1' ' A' ' 111' ' ' PHE . 43.9 m-85 -153.96 169.58 23.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.504 ' HB2' HD11 ' A' ' 26' ' ' LEU . . . -145.01 122.81 11.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -42.59 105.98 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.494 HD23 ' C ' ' A' ' 132' ' ' LEU . 9.0 tt -72.99 -52.46 14.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -84.56 135.38 40.89 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.611 0.72 . . . . 0.0 110.891 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -37.29 9.39 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.644 2.229 . . . . 0.0 112.366 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -58.63 -36.49 74.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' GLN . . . . . 0.441 ' HA ' ' HD2' ' A' ' 137' ' ' PRO . 28.1 mm-40 -115.98 102.7 53.86 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.635 0.731 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 136' ' ' GLN . 53.5 Cg_endo -69.81 176.54 6.67 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.366 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.766 ' HB1' ' HB3' ' A' ' 111' ' ' PHE . . . -62.96 -45.91 90.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -50.2 -54.67 18.53 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -43.4 -29.47 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.721 0.296 . . . . 0.0 111.067 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.548 HG23 ' CE1' ' A' ' 61' ' ' PHE . 55.7 mt -76.31 -71.72 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.716 HG21 HG23 ' A' ' 93' ' ' THR . 17.4 m -46.58 -53.92 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.587 ' N ' HG23 ' A' ' 142' ' ' VAL . 98.2 m -41.87 -51.44 4.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.123 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 144' ' ' PHE . . . . . 0.409 ' O ' HG12 ' A' ' 148' ' ' VAL . 70.7 t80 -59.73 -30.26 68.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.642 HD12 ' HA ' ' A' ' 142' ' ' VAL . 71.0 mt -73.44 -73.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 146' ' ' THR . . . . . 0.428 ' HA ' HD12 ' A' ' 150' ' ' LEU . 5.5 p -47.02 -23.41 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.186 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 143' ' ' THR . 10.6 mmtp -67.54 -57.25 6.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.687 HG13 HD22 ' A' ' 149' ' ' LEU . 9.7 p -88.17 -49.04 14.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.687 HD22 HG13 ' A' ' 148' ' ' VAL . 4.5 mm? -58.04 -62.57 1.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 146' ' ' THR . 10.4 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.755 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.824 0.345 . . . . 0.0 110.931 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.459 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 1.1 ptp180 -76.64 -23.55 53.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 35.3 tp60 -65.45 -28.4 69.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.2 130.44 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.499 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.64 119.19 23.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.784 0.326 . . . . 0.0 111.087 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.524 ' HB2' ' NZ ' ' A' ' 62' ' ' LYS . . . -143.42 126.8 16.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.9 p -159.78 160.24 33.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 t -81.34 128.05 33.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.8 m -115.94 -175.52 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.141 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.767 ' C ' HD13 ' A' ' 24' ' ' LEU . 2.2 tm? -119.63 117.34 28.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.517 ' N ' HD13 ' A' ' 24' ' ' LEU . 48.6 t80 -85.46 99.02 10.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.946 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.505 HD11 ' HB2' ' A' ' 130' ' ' ALA . 55.7 mt -61.69 -69.25 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.3 t -170.93 160.0 6.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.0 p -119.46 122.6 42.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.622 ' O ' HG23 ' A' ' 31' ' ' THR . 55.8 t -113.69 111.39 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.159 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -47.12 116.29 1.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.622 HG23 ' O ' ' A' ' 29' ' ' VAL . 71.5 p -112.91 38.13 2.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.093 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 31' ' ' THR . 1.3 pp20? -34.47 -53.3 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.429 ' N ' ' CD ' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -86.44 -45.96 10.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 -179.787 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 31' ' ' THR . 2.3 mm? -61.9 135.57 57.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.7 t -155.23 164.71 38.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.29 -155.59 40.27 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -8.86 24.67 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.686 2.257 . . . . 0.0 112.319 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.1 tp60 -83.65 -48.75 9.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -47.73 -40.9 21.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.499 HG22 ' SG ' ' A' ' 126' ' ' CYS . 48.3 t -65.2 -36.58 78.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.85 -31.93 71.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.6 ttt85 -62.36 -58.67 6.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.76 -48.74 5.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.057 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.7 m -63.97 -45.93 86.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.8 m -52.15 -45.5 65.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.84 -34.36 62.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.31 -30.93 71.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.8 mt -93.4 -38.99 11.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.4 t -67.08 -53.2 33.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -54.92 151.4 8.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.531 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 21.0 p -157.45 153.84 24.13 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.672 0.749 . . . . 0.0 110.832 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.7 Cg_endo -69.78 175.87 34.93 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.356 -0.034 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.1 mtm-85 -47.07 138.46 7.57 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.628 0.727 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 176.29 6.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.661 2.241 . . . . 0.0 112.331 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.1 m -114.48 96.59 43.85 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.567 0.698 . . . . 0.0 111.16 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.502 ' HB2' HD11 ' A' ' 24' ' ' LEU . 53.7 Cg_endo -69.73 153.28 69.26 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.736 2.291 . . . . 0.0 112.319 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -124.73 136.32 53.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.462 HG23 ' CD1' ' A' ' 132' ' ' LEU . 2.4 p -86.59 121.05 37.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.133 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.6 m -132.51 -178.29 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.443 ' CG ' ' N ' ' A' ' 61' ' ' PHE . 40.0 t-80 -94.85 163.15 13.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.443 ' N ' ' CG ' ' A' ' 60' ' ' HIS . 8.1 t80 -141.93 133.45 26.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.524 ' NZ ' ' HB2' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -132.56 135.63 46.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.477 HG11 ' CD2' ' A' ' 144' ' ' PHE . 75.7 t -119.08 109.73 27.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 96.2 p -139.54 161.54 37.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.89 -43.16 69.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.068 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 -60.17 -13.27 11.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.16 -155.23 20.93 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 87.2 mt -113.33 148.9 15.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.879 0.371 . . . . 0.0 111.191 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 90.6 m -131.22 138.46 49.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.5 mt -127.15 124.84 40.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.965 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 62.2 m -118.72 138.11 52.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -121.82 146.94 46.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -104.93 -41.43 5.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -71.27 -13.97 62.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 47.86 47.45 18.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -74.04 -39.36 63.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.0 mt -125.71 -49.49 1.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -139.64 -179.22 5.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.555 ' CD2' ' HB2' ' A' ' 80' ' ' ARG . 45.1 t80 -129.38 -64.58 0.89 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.555 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 27.0 ttp180 -124.77 99.41 6.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 25.6 mtp85 -125.76 121.3 32.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -122.25 150.53 42.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -126.05 150.06 68.24 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.692 0.758 . . . . 0.0 110.906 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 167.61 23.99 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.353 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.83 HG23 HD13 ' A' ' 149' ' ' LEU . 13.8 p -77.65 -37.37 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.171 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -56.2 -57.54 11.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.639 ' O ' HG23 ' A' ' 89' ' ' THR . 78.0 p -39.88 -59.65 1.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.8 mt -52.48 97.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 87' ' ' SER . 77.1 p -113.47 -21.77 10.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -139.42 143.69 37.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 46.0 t -172.77 105.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.1 t -156.61 148.17 22.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.665 HG23 HG21 ' A' ' 142' ' ' VAL . 21.4 p -44.08 137.66 3.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.197 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.483 ' OD2' HG12 ' A' ' 40' ' ' VAL . 4.0 t70 -46.67 140.37 5.91 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.577 0.703 . . . . 0.0 110.838 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.42 ' HD2' ' CG ' ' A' ' 94' ' ' ASP . 54.2 Cg_endo -69.72 -31.68 20.2 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 0.0 112.361 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -62.1 -30.4 70.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 22.4 t0 60.57 28.52 18.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -77.72 155.35 31.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 -106.7 128.36 54.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 67.5 t-105 -91.84 107.63 19.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 30.4 m -69.93 92.14 0.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.145 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.411 HD21 ' HD2' ' A' ' 103' ' ' PRO . 5.7 m120 -56.24 160.42 4.96 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.602 0.715 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.411 ' HD2' HD21 ' A' ' 102' ' ' ASN . 53.5 Cg_endo -69.81 -5.36 16.05 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.695 2.263 . . . . 0.0 112.29 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -96.45 24.72 5.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.896 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 56.95 53.36 44.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.518 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.8 t -156.45 150.24 24.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.372 . . . . 0.0 111.139 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 37.1 p -93.94 155.3 17.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.159 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.1 p -152.36 130.34 11.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -61.44 133.5 55.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 54.9 mt -84.54 120.52 35.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -133.45 157.26 46.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -170.23 176.47 43.89 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -139.34 173.59 11.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.535 HG22 ' SG ' ' A' ' 126' ' ' CYS . 16.9 t -127.04 114.37 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.13 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -119.57 140.09 51.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -65.6 146.07 55.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.512 ' HG3' HG23 ' A' ' 125' ' ' VAL . 33.5 mttm -59.37 149.23 70.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.557 0.694 . . . . 0.0 110.919 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -46.81 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.71 2.273 . . . . 0.0 112.367 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -84.98 -35.34 12.8 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.432 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.402 ' HA ' ' HD2' ' A' ' 121' ' ' PRO . 45.3 m -109.82 93.27 14.24 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.686 0.755 . . . . 0.0 110.843 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.532 ' HG2' ' CE3' ' A' ' 122' ' ' TRP . 53.5 Cg_endo -69.78 -1.73 8.98 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.329 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.532 ' CE3' ' HG2' ' A' ' 121' ' ' PRO . 1.8 p90 -99.33 -13.35 19.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -105.57 175.55 5.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -146.06 142.85 28.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.512 HG23 ' HG3' ' A' ' 117' ' ' LYS . 96.7 t -130.66 116.59 35.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.535 ' SG ' HG22 ' A' ' 114' ' ' VAL . 34.0 t -92.06 143.39 26.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -116.06 149.17 39.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.581 ' O ' ' CD1' ' A' ' 129' ' ' PHE . 8.0 tp -107.56 146.79 31.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.581 ' CD1' ' O ' ' A' ' 128' ' ' LEU . 34.4 m-85 -152.67 162.19 41.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.505 ' HB2' HD11 ' A' ' 26' ' ' LEU . . . -134.58 149.45 50.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.079 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.38 114.03 2.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.462 ' CD1' HG23 ' A' ' 58' ' ' VAL . 9.2 tt -89.05 -46.49 8.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.97 141.49 25.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.579 0.704 . . . . 0.0 110.858 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -46.01 1.35 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.688 2.259 . . . . 0.0 112.303 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -50.62 -40.0 51.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -107.55 86.63 2.91 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.579 0.704 . . . . 0.0 110.951 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 146.54 60.59 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.36 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.657 ' HA ' HD12 ' A' ' 141' ' ' ILE . . . -42.8 -48.26 5.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -47.69 -53.32 13.51 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.33 -27.11 33.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.779 0.324 . . . . 0.0 111.076 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.657 HD12 ' HA ' ' A' ' 138' ' ' ALA . 51.4 mt -78.79 -71.84 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.665 HG21 HG23 ' A' ' 93' ' ' THR . 8.4 m -46.69 -46.78 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.43 ' N ' HG23 ' A' ' 142' ' ' VAL . 91.9 m -52.76 -58.44 6.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 144' ' ' PHE . . . . . 0.477 ' CD2' HG11 ' A' ' 63' ' ' VAL . 20.6 t80 -49.36 -36.77 22.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 55.0 mt -62.69 -70.41 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' THR . . . . . 0.541 HG22 HD22 ' A' ' 150' ' ' LEU . 57.3 p -51.93 -19.8 1.98 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.19 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.33 -41.45 24.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 82.9 t -95.91 -61.82 2.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.83 HD13 HG23 ' A' ' 85' ' ' VAL . 3.6 mm? -49.79 -68.58 0.16 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.541 HD22 HG22 ' A' ' 146' ' ' THR . 8.4 mp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.834 0.35 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -47.42 -42.17 21.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -62.42 -60.07 4.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 73.79 131.15 0.19 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.444 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.34 119.88 33.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 111.066 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.56 135.77 48.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.4 p -157.02 165.89 34.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.404 ' O ' HD22 ' A' ' 132' ' ' LEU . 4.6 t -86.09 130.29 34.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.9 m -112.68 172.97 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.681 HD11 ' CB ' ' A' ' 56' ' ' PRO . 1.3 tm? -103.26 111.53 23.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.534 ' N ' HD13 ' A' ' 24' ' ' LEU . 55.8 t80 -85.05 94.44 8.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.577 HD12 ' HG ' ' A' ' 128' ' ' LEU . 53.4 mt -60.83 -64.02 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.5 t -173.85 163.41 4.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.088 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.0 p -114.4 122.81 47.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.3 t -117.17 123.87 72.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.125 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -60.05 126.72 28.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 32' ' ' GLU . 75.2 p -125.35 35.99 4.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.169 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 31' ' ' THR . 12.8 pt-20 -34.19 -48.21 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 t -91.5 -42.48 10.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 31' ' ' THR . 2.1 mm? -65.64 143.29 57.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.2 t -162.28 171.86 16.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.409 ' HA3' ' HD2' ' A' ' 37' ' ' PRO . . . 70.22 -147.62 44.56 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.482 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.409 ' HD2' ' HA3' ' A' ' 36' ' ' GLY . 52.9 Cg_endo -69.83 -27.5 26.05 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.659 2.24 . . . . 0.0 112.311 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -66.38 -52.89 42.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -44.94 -48.88 11.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.469 HG22 ' SG ' ' A' ' 126' ' ' CYS . 44.3 t -60.84 -30.03 46.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.122 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.68 -58.11 3.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.5 ttt85 -40.02 -59.82 1.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.84 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.678 ' HB3' HD13 ' A' ' 128' ' ' LEU . . . -37.99 -63.63 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.075 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.1 m -41.87 -46.03 3.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.1 t -60.64 -59.75 4.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -47.04 -45.69 21.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.061 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.02 -33.06 10.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.124 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mt -92.92 -41.97 9.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.6 t -66.39 -17.31 64.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 51' ' ' SER . 1.4 t -90.92 14.89 12.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.547 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 68.9 p -36.46 151.39 0.11 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.69 0.757 . . . . 0.0 110.851 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.6 Cg_endo -69.79 150.53 90.37 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 -1.811 . . . . 0.0 112.319 0.075 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 52' ' ' PRO . 32.2 mtt85 -34.67 126.36 0.52 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.619 0.723 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 145.81 58.44 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.721 2.281 . . . . 0.0 112.322 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 91.5 m -78.13 111.63 19.77 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.625 0.726 . . . . 0.0 111.146 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.681 ' CB ' HD11 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.74 169.79 18.06 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.663 2.242 . . . . 0.0 112.376 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -140.19 146.19 38.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.0 m -87.4 137.2 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.619 HG12 ' HA ' ' A' ' 72' ' ' ASP . 21.4 m -142.39 164.3 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -85.51 139.4 31.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -124.39 132.14 53.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -134.85 126.86 29.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.607 HG11 ' CD2' ' A' ' 144' ' ' PHE . 97.8 t -106.7 100.23 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.063 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.4 p -138.51 156.09 47.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -43.93 -56.78 3.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.11 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 65' ' ' ALA . 39.7 tp60 -37.45 -30.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . 142.76 -127.72 3.24 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.452 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 94.2 mt -144.84 128.25 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.38 . . . . 0.0 111.087 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.404 ' O ' HD23 ' A' ' 70' ' ' LEU . 55.0 m -113.68 140.9 47.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.404 HD23 ' O ' ' A' ' 69' ' ' THR . 17.7 mt -132.28 131.23 41.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.946 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 20.7 m -124.17 126.35 46.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.619 ' HA ' HG12 ' A' ' 59' ' ' VAL . 19.2 t0 -111.86 -58.46 2.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 74.96 25.01 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -110.51 -25.38 10.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.438 ' HD3' ' CD1' ' A' ' 79' ' ' PHE . 16.8 mmm180 45.14 42.03 6.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -113.26 -43.01 3.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 23.4 mt -118.07 -40.42 2.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -161.58 133.44 5.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.438 ' CD1' ' HD3' ' A' ' 75' ' ' ARG . 10.2 t80 -93.95 171.49 8.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -41.73 136.49 1.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 83' ' ' TYR . 43.4 mtt180 -148.76 119.15 7.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -99.39 126.32 45.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 81' ' ' ARG . 10.0 m-85 -118.1 134.44 23.34 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.688 0.756 . . . . 0.0 110.928 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 146.49 60.72 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.724 2.282 . . . . 0.0 112.358 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.736 HG23 HD13 ' A' ' 149' ' ' LEU . 12.3 p -45.92 -27.08 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.143 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 87' ' ' SER . 58.2 m-20 -64.16 -63.08 1.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.439 ' O ' HG23 ' A' ' 89' ' ' THR . 28.3 t -35.88 -59.31 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 29.3 mt -55.31 111.55 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.075 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 87' ' ' SER . 46.0 p -117.9 -47.04 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -119.73 138.01 53.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.8 t -160.73 112.0 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 m -161.35 156.6 24.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.572 HG23 HG21 ' A' ' 142' ' ' VAL . 1.2 p -58.03 142.76 45.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.193 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.432 ' CG ' ' HD2' ' A' ' 95' ' ' PRO . 7.0 t70 -36.0 139.98 0.39 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.606 0.717 . . . . 0.0 110.823 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.461 ' HG2' ' NE2' ' A' ' 96' ' ' GLN . 54.1 Cg_endo -69.83 -37.04 9.55 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.659 2.239 . . . . 0.0 112.341 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.461 ' NE2' ' HG2' ' A' ' 95' ' ' PRO . 26.2 mp0 -80.58 -26.78 37.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.0 t70 65.2 37.1 6.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -65.45 159.2 24.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -101.35 127.79 47.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.562 ' CD1' HD21 ' A' ' 26' ' ' LEU . 33.9 t-105 -91.0 103.1 15.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 31.3 m -72.12 92.01 1.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.114 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -46.7 160.49 0.32 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.606 0.717 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 1.55 4.39 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 0.0 112.319 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -96.58 -39.22 9.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 129.29 26.7 0.87 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.466 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 34.2 p -130.25 151.41 50.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.9 0.381 . . . . 0.0 111.135 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 41.2 p -88.48 157.76 18.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 43.0 m -154.66 153.41 31.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.81 133.01 40.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.872 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 62.7 mt -99.47 122.85 51.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -140.05 164.63 29.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 175.95 162.86 27.66 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.415 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 3.9 p90 -115.36 176.82 4.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.924 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 22.5 t -123.85 103.74 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -109.55 142.15 41.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 33.5 mttm -70.38 153.15 43.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.442 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 7.6 ttmm -64.13 138.72 97.5 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.564 0.697 . . . . 0.0 110.906 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.442 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 53.5 Cg_endo -69.74 -2.33 9.97 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.365 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -117.91 -33.28 1.29 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.471 ' HB3' ' CE2' ' A' ' 122' ' ' TRP . 73.9 m -133.27 120.84 16.23 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.642 0.734 . . . . 0.0 110.865 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -19.12 36.8 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.676 2.25 . . . . 0.0 112.376 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.471 ' CE2' ' HB3' ' A' ' 120' ' ' SER . 38.1 p90 -86.87 -16.34 36.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.417 ' HG2' ' CD1' ' A' ' 122' ' ' TRP . 17.4 mt-10 -101.7 116.43 32.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 31' ' ' THR . 5.3 m-80 -98.36 144.63 27.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 89.6 t -133.89 105.06 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.469 ' SG ' HG22 ' A' ' 40' ' ' VAL . 46.7 t -84.35 137.35 33.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -107.74 122.88 47.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.678 HD13 ' HB3' ' A' ' 43' ' ' ALA . 9.2 tp -81.84 146.41 29.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -152.34 172.06 17.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -149.96 159.21 44.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.067 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.627 ' HG3' ' HB2' ' A' ' 138' ' ' ALA . 93.0 mt-10 -60.54 115.11 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.511 HD23 ' C ' ' A' ' 132' ' ' LEU . 7.4 tt -95.17 -45.69 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 10.8 p30 -108.96 138.6 20.4 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.643 0.735 . . . . 0.0 110.879 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -45.68 1.51 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.308 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ASP . . . . . 0.402 ' OD1' ' OE1' ' A' ' 136' ' ' GLN . 0.6 OUTLIER -48.4 -47.18 37.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 136' ' ' GLN . . . . . 0.402 ' OE1' ' OD1' ' A' ' 135' ' ' ASP . 7.4 mp0 -104.46 101.65 28.9 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.575 0.702 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 153.64 68.61 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.668 2.245 . . . . 0.0 112.332 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.627 ' HB2' ' HG3' ' A' ' 131' ' ' GLU . . . -47.15 -50.11 21.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.087 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -47.68 -58.64 6.61 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.523 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -42.65 -35.99 1.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.75 0.309 . . . . 0.0 111.114 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.452 HD12 ' HA ' ' A' ' 138' ' ' ALA . 58.9 mt -69.2 -73.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.137 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.622 ' HA ' HD12 ' A' ' 145' ' ' ILE . 6.4 m -48.34 -51.42 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.479 ' N ' HG23 ' A' ' 142' ' ' VAL . 88.3 m -48.49 -60.71 2.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.186 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 144' ' ' PHE . . . . . 0.607 ' CD2' HG11 ' A' ' 63' ' ' VAL . 14.5 t80 -48.51 -51.6 26.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 142' ' ' VAL . 64.2 mt -46.92 -57.42 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 146' ' ' THR . . . . . 0.841 ' HB ' HD12 ' A' ' 150' ' ' LEU . 28.8 p -61.69 -40.49 95.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -55.16 -39.64 69.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 74.8 t -92.58 -63.56 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.082 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.736 HD13 HG23 ' A' ' 85' ' ' VAL . 1.2 mm? -48.81 -70.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.841 HD12 ' HB ' ' A' ' 146' ' ' THR . 64.6 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.9 mt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.829 0.347 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.4 mtp85 -45.8 -25.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -93.31 -179.08 4.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.78 138.59 5.77 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.513 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.42 119.36 35.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 111.083 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.5 125.38 16.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.2 m -162.74 -178.01 5.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.58 ' HB3' HD21 ' A' ' 132' ' ' LEU . 3.3 m -92.2 152.77 19.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.577 ' C ' HD23 ' A' ' 132' ' ' LEU . 33.7 m -140.45 163.95 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.122 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.615 ' C ' HD13 ' A' ' 24' ' ' LEU . 2.7 tm? -95.22 121.77 37.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.574 ' N ' HD13 ' A' ' 24' ' ' LEU . 64.5 t80 -90.81 111.1 22.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.955 HD12 ' HG ' ' A' ' 128' ' ' LEU . 22.3 mt -80.05 -64.2 1.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.4 t -173.42 168.99 4.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.5 p -127.9 113.68 16.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.512 HG21 ' HA ' ' A' ' 43' ' ' ALA . 39.7 t -102.78 127.24 56.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.118 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -57.35 124.03 17.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.9 HG21 ' HB1' ' A' ' 39' ' ' ALA . 71.9 p -118.98 34.82 5.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -47.8 -40.81 22.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.8 t -89.38 -34.87 16.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.409 ' C ' HG22 ' A' ' 35' ' ' THR . 2.6 mt -80.96 163.86 22.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.409 HG22 ' C ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -175.25 154.21 1.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.111 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.34 -149.01 30.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.533 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.411 ' HD3' ' CE2' ' A' ' 90' ' ' PHE . 54.2 Cg_endo -69.71 -7.29 20.67 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.37 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' A' ' 41' ' ' ALA . 15.7 tp60 -82.05 -65.56 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.9 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -34.37 -41.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.2 t -64.63 -45.57 95.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 38' ' ' GLN . . . -62.99 -21.93 66.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.081 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 -77.53 -57.92 3.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.512 ' HA ' HG21 ' A' ' 29' ' ' VAL . . . -38.86 -60.35 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.9 m -49.89 -50.2 46.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 m -51.63 -35.19 40.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.7 -29.02 24.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.104 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.36 -25.75 66.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.072 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.542 HD11 ' HD3' ' A' ' 98' ' ' ARG . 7.8 mt -93.87 -35.37 12.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.7 m -64.87 -53.07 52.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 30.2 t -43.91 137.34 3.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.521 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 37.1 p -149.27 132.4 8.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.685 0.755 . . . . 0.0 110.896 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.3 Cg_endo -69.74 149.51 88.65 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.674 -1.803 . . . . 0.0 112.323 0.012 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.9 ptp85 -40.69 145.27 0.54 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.646 0.736 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 146.75 61.09 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.693 2.262 . . . . 0.0 112.311 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.0 m -86.21 110.51 31.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.6 0.714 . . . . 0.0 111.131 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.516 ' CB ' HD11 ' A' ' 24' ' ' LEU . 53.4 Cg_endo -69.78 172.83 11.95 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.667 2.244 . . . . 0.0 112.332 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.32 140.97 25.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.5 t -81.83 126.86 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.9 m -139.41 157.57 27.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -76.98 143.5 39.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -128.54 142.69 50.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -146.77 141.25 26.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.7 t -119.28 113.26 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.0 t -140.65 178.65 7.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.826 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.01 -36.97 75.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.102 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -63.75 -10.39 19.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 120.66 -157.03 15.95 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.516 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.645 HG12 HD11 ' A' ' 88' ' ' ILE . 14.2 mm -92.91 149.44 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 111.139 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 m -133.37 117.26 17.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.48 128.93 54.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 94.1 m -135.73 135.01 39.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -122.17 159.82 26.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -112.89 -15.6 12.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -80.31 -33.26 37.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 59.56 36.26 22.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.9 mmmt -81.73 -63.44 1.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.9 mt -80.77 -48.29 12.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -162.34 178.38 8.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 80' ' ' ARG . 16.9 t80 -113.89 173.0 6.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 79' ' ' PHE . 7.7 ptm180 -34.53 143.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -157.99 140.09 14.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -102.69 138.98 38.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -111.8 125.62 29.99 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.629 0.728 . . . . 0.0 110.96 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.491 ' O ' ' N ' ' A' ' 86' ' ' ASN . 53.7 Cg_endo -69.74 122.49 9.17 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.718 2.279 . . . . 0.0 112.327 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.682 HG23 HD12 ' A' ' 149' ' ' LEU . 7.7 p -36.57 -29.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' A' ' 84' ' ' PRO . 11.2 m120 -63.44 -50.98 67.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.7 p -44.04 -51.62 7.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.645 HD11 HG12 ' A' ' 68' ' ' ILE . 13.5 mt -59.01 123.92 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.116 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.99 ' O ' HD21 ' A' ' 150' ' ' LEU . 37.3 p -124.92 -44.24 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.411 ' CE2' ' HD3' ' A' ' 37' ' ' PRO . 29.5 t80 -137.54 125.57 22.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.5 t -141.0 115.36 9.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.4 t -166.92 148.13 5.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.702 HG23 HG21 ' A' ' 142' ' ' VAL . 1.7 p -47.49 151.85 0.73 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -60.51 138.79 92.61 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.582 0.706 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -27.95 26.12 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -67.7 -29.08 68.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 22.7 t0 59.52 37.55 22.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.542 ' HD3' HD11 ' A' ' 48' ' ' LEU . 9.4 mtp85 -84.55 164.02 18.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -109.12 149.48 29.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.459 ' CD2' HD22 ' A' ' 26' ' ' LEU . 67.4 t-105 -113.68 110.96 21.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.1 m -73.94 90.89 1.97 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.135 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.423 ' HB2' HG22 ' A' ' 106' ' ' THR . 55.2 m-20 -41.8 155.47 0.23 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.616 0.722 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -3.1 11.34 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.715 2.277 . . . . 0.0 112.36 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -95.69 -40.5 9.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 132.14 60.6 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.536 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.423 HG22 ' HB2' ' A' ' 102' ' ' ASN . 7.1 t -166.19 158.13 13.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.898 0.38 . . . . 0.0 111.104 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 72.9 p -101.59 156.32 17.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 45.8 m -154.63 157.41 38.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -80.14 128.39 33.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 89.1 mt -81.58 143.81 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.519 ' CE1' ' HB3' ' A' ' 129' ' ' PHE . 4.3 p90 -160.17 164.24 33.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 179.35 170.54 41.32 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -134.99 158.56 44.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.885 0.374 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t -107.56 107.16 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -118.04 157.35 26.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.059 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 58.9 mttt -64.8 144.13 57.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -61.72 135.99 94.54 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.605 0.717 . . . . 0.0 110.868 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -1.48 8.56 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.716 2.278 . . . . 0.0 112.309 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -121.41 -19.49 3.47 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.432 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.445 ' HA ' ' HD2' ' A' ' 121' ' ' PRO . 4.7 m -144.85 105.09 4.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.704 0.764 . . . . 0.0 110.875 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.445 ' HD2' ' HA ' ' A' ' 120' ' ' SER . 53.5 Cg_endo -69.75 -4.5 14.15 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.731 2.287 . . . . 0.0 112.339 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 5.9 p90 -96.08 9.26 41.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -137.04 170.6 15.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 31' ' ' THR . 5.1 p30 -142.46 132.61 24.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -135.08 127.76 48.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.113 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 31.3 t -83.92 160.05 21.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -130.64 93.77 3.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.955 ' HG ' HD12 ' A' ' 26' ' ' LEU . 8.9 tp -49.78 156.86 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.519 ' HB3' ' CE1' ' A' ' 111' ' ' PHE . 17.7 m-85 -160.14 172.42 17.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.511 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -152.23 144.57 24.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.089 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.98 97.68 1.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.58 HD21 ' HB3' ' A' ' 22' ' ' SER . 0.6 OUTLIER -78.51 -24.28 45.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -105.39 119.53 52.55 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.595 0.712 . . . . 0.0 110.893 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -13.03 34.26 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.711 2.274 . . . . 0.0 112.345 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -68.22 -25.95 65.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -145.76 117.39 5.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.55 0.69 . . . . 0.0 110.953 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 162.12 43.31 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.643 2.229 . . . . 0.0 112.324 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.442 ' HA ' HD12 ' A' ' 141' ' ' ILE . . . -61.23 -45.28 95.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -46.11 -56.2 7.06 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.456 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -48.36 -33.55 9.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.768 0.318 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 138' ' ' ALA . 40.0 mt -74.46 -72.86 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.702 HG21 HG23 ' A' ' 93' ' ' THR . 6.3 m -43.7 -38.99 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 55.3 m -61.74 -48.1 82.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.159 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -62.52 -25.01 67.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 67.5 mt -70.87 -71.92 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' THR . . . . . 0.52 HG22 ' O ' ' A' ' 142' ' ' VAL . 0.1 OUTLIER -50.25 -38.36 40.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -55.39 -43.69 75.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 96.4 t -94.59 -63.08 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.682 HD12 HG23 ' A' ' 85' ' ' VAL . 3.9 mm? -51.24 -57.68 8.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.99 HD21 ' O ' ' A' ' 89' ' ' THR . 8.2 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.5 p -159.07 112.78 2.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.369 . . . . 0.0 110.87 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.1 p -89.8 173.95 7.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.84 144.47 6.35 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.52 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.7 p -119.37 119.12 33.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 0.0 110.871 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -51.01 159.65 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.22 45.1 1.37 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.0 72.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.744 0.307 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.8 p -71.64 -62.24 1.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.8 p -151.9 132.86 14.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.097 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.07 -24.19 21.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -49.42 -56.18 10.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -51.17 -41.46 60.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.6 mt -62.76 -55.56 25.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 15' ' ' LEU . 16.6 mt -49.16 -47.15 46.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.448 ' CZ ' ' HB3' ' A' ' 16' ' ' ARG . 9.0 mtp-105 -39.41 -38.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.414 ' O ' ' CZ ' ' A' ' 144' ' ' PHE . 27.2 mm-40 -94.59 130.22 41.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -140.66 142.47 12.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.22 121.4 36.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.783 0.325 . . . . 0.0 111.114 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.85 120.13 11.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.1 m -165.55 -178.67 5.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.829 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.478 ' HB2' ' CD2' ' A' ' 132' ' ' LEU . 5.5 m -82.37 144.53 30.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.2 m -127.32 178.09 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.078 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.604 HD11 ' HB2' ' A' ' 56' ' ' PRO . 3.2 tm? -109.21 110.79 22.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -78.75 108.81 12.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.568 HD11 ' HB2' ' A' ' 130' ' ' ALA . 85.6 mt -81.65 -72.96 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.966 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.444 ' O ' ' CB ' ' A' ' 128' ' ' LEU . 15.2 t -174.04 155.17 2.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 p -118.82 133.35 55.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 55.9 t -120.77 140.04 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -72.92 125.02 26.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.802 HG21 ' HB1' ' A' ' 39' ' ' ALA . 64.8 p -110.54 34.87 3.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 31' ' ' THR . 2.2 pt-20 -34.64 -43.85 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.4 t -100.39 -33.25 10.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -74.83 153.51 38.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.926 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 t -171.23 169.61 6.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.34 -155.3 53.01 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -4.56 14.29 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.655 2.236 . . . . 0.0 112.363 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -86.88 -49.61 7.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.932 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.802 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -45.39 -45.08 12.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.2 t -61.43 -30.59 48.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.47 -39.49 67.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.9 ttt85 -56.65 -66.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -38.4 -49.17 1.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.084 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.9 m -54.49 -49.49 70.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.4 t -62.76 -37.25 85.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.826 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.5 -16.17 58.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.09 -32.36 56.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.697 HD11 ' HG2' ' A' ' 98' ' ' ARG . 4.3 mt -97.88 -27.82 14.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.977 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 m -64.2 -52.27 59.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 50.1 t -71.65 137.42 47.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.493 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 1.5 m -139.22 160.79 60.8 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.619 0.724 . . . . 0.0 110.888 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.4 Cg_endo -69.84 155.12 93.63 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.3 0.07 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 52' ' ' PRO . 2.8 ppt_? -34.26 144.32 0.19 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.559 0.695 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 160.02 51.26 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.715 2.277 . . . . 0.0 112.32 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.3 m -103.69 94.31 6.06 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.544 0.688 . . . . 0.0 111.184 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.604 ' HB2' HD11 ' A' ' 24' ' ' LEU . 54.2 Cg_endo -69.73 153.03 69.57 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.653 2.236 . . . . 0.0 112.371 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.666 ' HB1' ' OE1' ' A' ' 74' ' ' GLN . . . -131.13 156.47 45.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.0 m -84.6 133.6 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.4 m -140.62 -175.69 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.167 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.431 ' N ' ' O ' ' A' ' 71' ' ' THR . 57.9 t-80 -104.0 148.53 26.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -136.33 131.21 34.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -136.6 133.0 35.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.4 t -107.05 108.23 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.6 m -133.06 156.25 47.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.91 -21.28 28.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.07 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -76.04 -3.35 35.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 124.79 -129.71 7.16 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.406 HG13 HD13 ' A' ' 88' ' ' ILE . 94.2 mt -137.88 121.76 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.378 . . . . 0.0 111.092 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.702 HG23 ' HB2' ' A' ' 82' ' ' HIS . 21.3 m -111.64 140.78 45.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.91 146.91 52.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 60' ' ' HIS . 44.3 m -148.93 131.52 15.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -110.05 171.03 7.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -126.92 10.23 6.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.666 ' OE1' ' HB1' ' A' ' 57' ' ' ALA . 12.2 pt20 -97.02 -34.03 11.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.429 ' NH1' ' HB2' ' A' ' 75' ' ' ARG . 25.8 mtm105 62.13 49.46 4.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.442 ' CE ' ' HA ' ' A' ' 76' ' ' LYS . 2.3 mmpt? -109.14 -70.62 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.6 mt -80.99 -28.99 35.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.931 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -169.28 172.53 7.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -108.84 -60.0 1.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.4 ' HE ' HG21 ' A' ' 71' ' ' THR . 74.0 mtt180 -151.29 124.98 9.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -142.5 143.83 32.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.702 ' HB2' HG23 ' A' ' 69' ' ' THR . 10.0 t60 -146.61 152.07 38.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -120.02 143.98 36.59 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.671 0.748 . . . . 0.0 110.918 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 153.96 68.04 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.626 2.217 . . . . 0.0 112.338 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.699 HG23 HD13 ' A' ' 149' ' ' LEU . 7.2 p -68.41 -19.71 24.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -75.21 -1.55 23.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.0 p -105.44 -63.96 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.406 HD13 HG13 ' A' ' 68' ' ' ILE . 24.5 mt -47.1 111.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.72 -26.89 8.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' ' 91' ' ' SER . 16.7 t80 -134.75 149.72 50.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.445 ' O ' ' CG2' ' A' ' 146' ' ' THR . 31.2 t -174.5 116.27 0.19 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.0 t -174.24 149.56 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.864 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.48 HG23 HG21 ' A' ' 142' ' ' VAL . 0.8 OUTLIER -44.01 142.66 1.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.111 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.484 ' OD2' ' N ' ' A' ' 97' ' ' ASP . 0.5 OUTLIER -49.1 139.18 13.07 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.629 0.728 . . . . 0.0 110.852 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -38.75 7.48 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.741 2.294 . . . . 0.0 112.378 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -64.0 -7.63 9.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.484 ' N ' ' OD2' ' A' ' 94' ' ' ASP . 17.5 t70 47.34 38.74 7.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.697 ' HG2' HD11 ' A' ' 48' ' ' LEU . 6.5 tpt180 -77.56 160.81 28.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.435 ' NH1' ' HD3' ' A' ' 109' ' ' LYS . 31.5 mmt180 -118.68 149.79 40.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 56.6 t-105 -110.69 104.36 13.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.0 m -71.05 96.16 1.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.173 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -52.66 158.41 2.15 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.597 0.713 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 0.98 4.86 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.314 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -92.79 -24.13 18.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 112.42 42.67 0.95 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.475 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 15.4 t -153.85 155.69 36.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.877 0.37 . . . . 0.0 111.125 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 40.9 p -102.48 153.64 19.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.5 m -142.87 149.07 38.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.435 ' HD3' ' NH1' ' A' ' 99' ' ' ARG . 12.2 tptm -66.7 128.11 35.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 61.8 mt -89.35 135.28 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -147.23 152.06 37.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.16 169.38 41.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -132.21 171.47 13.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.906 0.384 . . . . 0.0 110.886 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.4 t -123.4 126.2 72.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.156 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -139.6 163.35 32.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.085 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.88 133.03 34.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.474 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 4.4 ttmm -47.22 140.46 6.89 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.609 0.718 . . . . 0.0 110.881 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 53.5 Cg_endo -69.73 -12.96 34.04 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.714 2.276 . . . . 0.0 112.345 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -106.28 -19.82 9.68 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.509 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 29.8 m -149.51 118.3 3.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.693 0.759 . . . . 0.0 110.861 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -29.63 23.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.689 2.259 . . . . 0.0 112.387 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.409 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 33.8 p90 -78.9 -6.27 55.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.409 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 30.2 mt-10 -108.43 116.78 32.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 124' ' ' ASN . 0.3 OUTLIER -99.12 146.95 25.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -153.28 119.89 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.41 ' SG ' ' CG2' ' A' ' 31' ' ' THR . 7.4 p -89.64 149.16 22.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -115.98 115.05 25.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.444 ' CB ' ' O ' ' A' ' 27' ' ' THR . 8.8 tp -82.01 140.12 34.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -140.79 166.16 25.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.568 ' HB2' HD11 ' A' ' 26' ' ' LEU . . . -138.0 157.76 45.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -66.82 125.44 25.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.478 ' CD2' ' HB2' ' A' ' 22' ' ' SER . 7.1 tp -99.81 -52.99 3.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.921 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -115.55 147.47 38.91 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.621 0.724 . . . . 0.0 110.866 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -45.39 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.663 2.242 . . . . 0.0 112.364 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -43.56 -47.94 7.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -112.81 84.01 6.32 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 156.73 62.65 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.701 2.267 . . . . 0.0 112.357 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.65 ' O ' HG22 ' A' ' 142' ' ' VAL . . . -51.24 -49.74 60.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -49.69 -42.38 36.31 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.518 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -70.95 -21.46 62.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.742 0.306 . . . . 0.0 111.087 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 68.2 mt -83.94 -69.08 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.098 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.65 HG22 ' O ' ' A' ' 138' ' ' ALA . 2.0 m -47.23 -44.11 8.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 21.8 m -51.71 -63.27 1.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' PHE . . . . . 0.414 ' CZ ' ' O ' ' A' ' 17' ' ' GLN . 20.0 t80 -42.53 -37.42 1.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 45.7 mt -65.86 -59.2 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.11 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.698 ' HA ' HD13 ' A' ' 150' ' ' LEU . 50.6 p -58.81 -15.36 11.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -84.41 -43.56 14.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.958 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 53.1 t -94.81 -70.4 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.699 HD13 HG23 ' A' ' 85' ' ' VAL . 3.9 mm? -38.72 -59.96 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.698 HD13 ' HA ' ' A' ' 146' ' ' THR . 6.1 mp -74.52 -73.72 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 126.68 73.18 0.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -125.33 132.47 52.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.812 0.339 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ARG . . . . . 0.401 ' CD ' ' H ' ' A' ' 153' ' ' ARG . 0.0 OUTLIER -40.66 159.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.89 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -71.57 146.66 48.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 30.7 t -85.09 -67.85 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -65.74 144.73 47.35 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.51 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 178.7 4.3 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.706 2.271 . . . . 0.0 112.322 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.1 t -174.54 115.84 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 11.1 m -75.35 157.54 34.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.442 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.8 p -49.7 158.13 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 110.822 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 t -94.5 168.8 10.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.7 85.12 1.08 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.452 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -118.89 88.51 2.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.358 . . . . 0.0 110.794 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.0 m -41.81 -59.06 1.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.75 75.38 2.37 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.3 ptm -101.71 -23.32 14.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 m -111.31 32.5 5.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.866 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.2 p -111.73 94.9 5.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.174 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.85 -45.72 23.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.52 -48.34 57.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.097 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.97 -53.31 57.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 15' ' ' LEU . 2.5 mt -42.07 -62.91 0.83 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 14' ' ' LEU . 81.5 mt -34.85 -60.76 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -38.47 -46.33 1.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -64.95 -50.92 64.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.04 137.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.11 120.53 31.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.831 0.348 . . . . 0.0 111.126 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.77 124.8 12.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.065 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.0 p -160.11 177.65 10.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.6 m -90.53 135.21 33.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.408 HG13 ' HB2' ' A' ' 61' ' ' PHE . 35.2 m -118.78 167.85 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.137 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.474 ' C ' HD13 ' A' ' 24' ' ' LEU . 3.1 tm? -100.99 113.6 26.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -83.05 103.47 12.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.633 HD12 ' HG ' ' A' ' 128' ' ' LEU . 52.9 mt -75.01 -72.92 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.957 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.8 t -165.78 -179.79 5.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.3 m -141.58 122.34 14.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.3 t -116.53 152.51 18.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.131 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -75.35 125.09 28.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 78.3 p -121.59 37.54 4.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.109 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -44.65 -46.61 10.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.26 -26.75 18.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.734 HD13 ' HB3' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -81.0 152.34 28.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.865 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 7.8 t -167.91 -175.68 2.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.427 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . 45.25 -144.25 2.95 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.402 ' HD2' ' HA3' ' A' ' 36' ' ' GLY . 53.6 Cg_endo -69.75 -1.85 9.17 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.734 ' HB3' HD13 ' A' ' 34' ' ' LEU . 11.9 mt-30 -86.35 -46.98 9.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.72 -53.23 60.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.068 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.6 t -57.99 -35.93 54.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.141 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.619 ' HB2' ' HG3' ' A' ' 95' ' ' PRO . . . -73.27 -29.34 62.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.093 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -69.24 -64.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.23 -58.12 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.491 ' HA ' HD21 ' A' ' 128' ' ' LEU . 1.2 p -55.85 -49.12 74.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.0 t -51.73 -44.53 63.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 48' ' ' LEU . . . -71.87 -58.93 3.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.112 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -38.04 -26.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 46' ' ' ALA . 13.4 mt -99.22 -43.58 6.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.1 t -66.45 -53.72 32.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -67.55 148.57 51.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.509 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 1.2 p -149.56 159.55 36.11 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.666 0.746 . . . . 0.0 110.888 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.7 Cg_endo -69.82 167.32 71.63 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.623 -1.824 . . . . 0.0 112.353 0.021 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.04 143.06 98.26 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.622 0.725 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 164.12 35.71 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.721 2.281 . . . . 0.0 112.331 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 99.7 m -99.47 102.33 16.1 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.627 0.727 . . . . 0.0 111.187 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 171.17 14.91 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.695 2.263 . . . . 0.0 112.358 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.67 153.44 38.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.1 t -83.64 131.6 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.159 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.589 HG12 ' CG ' ' A' ' 72' ' ' ASP . 25.6 m -142.08 173.59 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -93.59 150.04 20.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.408 ' HB2' HG13 ' A' ' 23' ' ' VAL . 16.6 t80 -135.05 139.15 44.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -150.87 150.2 30.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.3 t -134.75 117.03 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 t -142.77 -179.42 6.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.86 -14.66 35.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.08 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -91.48 14.87 13.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.71 -146.17 18.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.46 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.422 HG13 ' CD1' ' A' ' 88' ' ' ILE . 67.9 mt -103.78 142.52 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 111.147 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 54.5 m -133.98 136.1 43.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.175 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.4 mt -132.09 148.73 52.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.0 m -140.0 116.67 10.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.097 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.589 ' CG ' HG12 ' A' ' 59' ' ' VAL . 23.6 t0 -108.53 121.99 46.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -91.93 10.05 30.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -101.83 -18.41 15.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 52.8 mtt85 43.73 50.08 6.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.459 ' CE ' ' HA ' ' A' ' 76' ' ' LYS . 2.5 mmpt? -102.62 -63.33 1.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.483 HD22 ' N ' ' A' ' 77' ' ' LEU . 3.3 mm? -97.56 -47.45 5.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.525 ' CE1' HG11 ' A' ' 59' ' ' VAL . 22.7 p90 -147.77 121.19 9.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 79' ' ' PHE . 1.8 t80 -63.55 -72.43 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 32.3 ttt85 -145.54 122.52 11.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -124.85 135.05 52.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -120.07 122.85 42.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -111.35 127.93 26.14 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.707 0.765 . . . . 0.0 110.937 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.417 ' HG2' ' CB ' ' A' ' 87' ' ' SER . 54.1 Cg_endo -69.71 143.73 52.02 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.812 HG23 HD13 ' A' ' 149' ' ' LEU . 2.8 p -47.57 -45.56 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' A' ' 87' ' ' SER . 17.4 t30 -55.08 -61.98 1.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 86' ' ' ASN . 13.6 t -36.06 -40.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.824 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.422 ' CD1' HG13 ' A' ' 68' ' ' ILE . 69.2 mt -79.27 123.82 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 37.4 p -125.25 -24.3 4.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -139.33 138.5 36.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.472 ' O ' ' CG2' ' A' ' 146' ' ' THR . 4.1 t -165.98 112.3 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.6 t -161.88 149.67 14.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.716 ' N ' HG11 ' A' ' 142' ' ' VAL . 1.1 p -47.83 162.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -67.06 140.28 95.84 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.652 0.739 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.619 ' HG3' ' HB2' ' A' ' 41' ' ' ALA . 53.8 Cg_endo -69.71 -42.25 3.63 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.72 2.28 . . . . 0.0 112.327 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -63.49 -15.42 57.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 51.75 30.42 6.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? -69.75 156.35 39.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 -107.67 138.06 44.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 35.0 t-105 -100.64 123.27 44.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 22.6 m -81.0 100.8 9.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -54.45 151.79 13.4 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.657 0.741 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 2.38 3.58 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.341 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -99.17 -25.37 14.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 115.31 58.3 0.35 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.2 t -167.82 149.77 5.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.905 0.383 . . . . 0.0 111.127 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 46.5 p -94.88 150.18 20.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.9 m -146.99 169.48 19.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 68.6 tttt -86.42 148.57 25.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 75.2 mt -103.17 142.7 16.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.485 ' HB3' ' HB1' ' A' ' 138' ' ' ALA . 5.9 p90 -160.93 166.91 27.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 177.5 -170.22 42.6 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.487 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -148.86 166.43 28.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.9 0.381 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.7 t -116.38 114.19 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -118.26 153.72 33.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -80.64 145.8 31.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.52 ' HG3' HG23 ' A' ' 125' ' ' VAL . 20.2 mtpt -64.8 148.37 97.32 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 0.0 110.902 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -33.02 17.43 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.687 2.258 . . . . 0.0 112.355 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -103.23 -21.69 9.8 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.486 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 56.0 m -119.15 83.9 25.89 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.639 0.733 . . . . 0.0 110.894 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -2.11 9.64 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.665 2.243 . . . . 0.0 112.303 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 6.8 p90 -103.13 -4.74 24.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -115.23 165.15 13.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -127.12 141.95 51.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.52 HG23 ' HG3' ' A' ' 117' ' ' LYS . 48.5 t -135.13 115.16 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 42.8 t -95.9 144.52 26.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -117.15 127.06 53.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.633 ' HG ' HD12 ' A' ' 26' ' ' LEU . 10.2 tp -86.91 140.22 29.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -145.16 172.52 12.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.426 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -147.67 137.45 22.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.435 ' O ' ' CD ' ' A' ' 131' ' ' GLU . 3.0 pp20? -52.49 115.17 1.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 10.3 tt -83.15 -57.16 3.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.409 ' CG ' ' HD2' ' A' ' 134' ' ' PRO . 4.7 t70 -92.23 143.33 27.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.523 0.677 . . . . 0.0 110.866 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.409 ' HD2' ' CG ' ' A' ' 133' ' ' ASP . 54.1 Cg_endo -69.75 -48.37 0.74 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.647 2.231 . . . . 0.0 112.356 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.52 -39.47 34.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.832 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -118.86 82.07 20.23 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.711 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 178.02 4.95 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.722 2.281 . . . . 0.0 112.367 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.82 ' HA ' HD12 ' A' ' 141' ' ' ILE . . . -64.24 -48.88 74.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.083 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -48.88 -46.54 31.99 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.464 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.58 -23.95 67.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.811 0.339 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.82 HD12 ' HA ' ' A' ' 138' ' ' ALA . 41.0 mt -79.03 -72.01 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.716 HG11 ' N ' ' A' ' 93' ' ' THR . 3.1 m -39.52 -43.92 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.44 ' O ' ' CG ' ' A' ' 147' ' ' LYS . 98.9 m -58.27 -55.01 40.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' PHE . . . . . 0.42 ' O ' HG12 ' A' ' 148' ' ' VAL . 48.3 t80 -55.52 -27.67 50.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.448 HG23 ' HG ' ' A' ' 149' ' ' LEU . 60.7 mt -75.7 -71.77 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.593 ' HA ' HD13 ' A' ' 150' ' ' LEU . 16.2 p -47.92 -20.51 0.32 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 143' ' ' THR . 21.8 mmtt -72.31 -52.61 15.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.581 HG13 ' N ' ' A' ' 149' ' ' LEU . 8.6 p -91.7 -49.97 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.093 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.812 HD13 HG23 ' A' ' 85' ' ' VAL . 3.9 mm? -52.92 -63.92 0.99 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.593 HD13 ' HA ' ' A' ' 146' ' ' THR . 6.5 mp -77.19 6.45 6.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -139.16 84.17 0.23 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.522 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -118.34 152.67 35.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.81 0.338 . . . . 0.0 110.929 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 17.7 mtm180 -117.14 -31.15 5.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt 38.53 54.44 1.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 4.4 m -56.78 -64.26 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 144.26 70.56 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.526 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -0.42 6.85 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 89.3 p -48.21 140.05 7.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.8 m -165.91 160.99 17.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.837 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.505 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.4 m -155.51 -178.96 7.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.883 0.373 . . . . 0.0 110.833 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -48.27 171.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.21 177.25 0.16 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.47 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.3 p -138.54 -176.79 4.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.908 0.385 . . . . 0.0 110.856 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -130.8 179.53 5.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.43 110.46 0.61 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -135.28 117.97 16.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.782 0.325 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.0 m -138.84 175.88 9.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.6 p -39.89 109.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.12 -47.39 10.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.073 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -39.91 -36.28 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.065 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -65.83 -53.43 40.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.84 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.9 mt -42.32 -61.14 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.538 HD21 ' HB2' ' A' ' 65' ' ' ALA . 8.0 mp -40.55 -53.22 2.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.1 mtp85 -45.13 -47.41 12.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -68.34 -55.52 11.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.07 127.0 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.444 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.65 119.37 37.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.829 0.347 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.423 ' HB2' ' HG3' ' A' ' 62' ' ' LYS . . . -145.07 122.61 11.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.2 t -152.42 170.6 19.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.9 t -80.0 133.04 36.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.826 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.5 m -119.44 176.62 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.12 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.613 ' C ' HD13 ' A' ' 24' ' ' LEU . 3.3 tm? -106.96 116.75 32.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.952 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -85.1 121.38 27.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.448 HD21 ' HB2' ' A' ' 130' ' ' ALA . 13.0 mt -93.9 -70.09 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.4 t -169.38 172.85 6.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.3 p -135.81 122.72 21.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.3 t -104.82 149.42 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -73.59 118.99 17.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.687 HG21 ' HB1' ' A' ' 39' ' ' ALA . 52.2 p -113.63 40.84 2.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -42.66 -48.1 5.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.0 t -101.15 -22.95 14.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.691 HD12 ' HA ' ' A' ' 39' ' ' ALA . 0.4 OUTLIER -70.58 137.26 49.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 75.5 p -153.35 153.0 31.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.176 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.99 -142.72 29.98 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -25.13 28.73 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.71 2.274 . . . . 0.0 112.335 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.68 ' HB3' HD13 ' A' ' 34' ' ' LEU . 33.6 mt-30 -58.75 -50.57 73.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.691 ' HA ' HD12 ' A' ' 34' ' ' LEU . . . -50.82 -57.64 7.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.8 t -53.96 -39.61 41.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.624 ' HB2' ' HG3' ' A' ' 95' ' ' PRO . . . -68.93 -31.61 70.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.074 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.4 ttt85 -70.92 -58.8 3.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.645 ' HB2' ' SG ' ' A' ' 126' ' ' CYS . . . -42.32 -42.6 3.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.403 ' OG ' HD11 ' A' ' 128' ' ' LEU . 73.1 m -72.38 -54.64 8.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.7 m -43.92 -33.69 1.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 48' ' ' LEU . . . -82.81 -63.05 1.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.128 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -38.17 -26.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.104 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 46' ' ' ALA . 3.8 mt -99.22 -41.47 7.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 38.3 t -68.0 -53.55 25.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -67.14 148.21 52.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.533 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 6.2 m -145.95 156.62 51.3 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.648 0.737 . . . . 0.0 110.85 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.9 Cg_endo -69.75 176.02 34.21 Favored 'Cis proline' 0 C--N 1.341 0.139 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.315 -0.021 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.446 ' HD2' ' CH2' ' A' ' 100' ' ' TRP . 7.0 mtm105 -69.6 140.5 89.64 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.622 0.725 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 152.45 69.36 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.67 2.246 . . . . 0.0 112.34 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 47.9 m -87.78 110.03 31.65 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.589 0.709 . . . . 0.0 111.139 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 170.75 15.87 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.68 2.253 . . . . 0.0 112.381 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.0 144.36 22.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.538 HG12 HD12 ' A' ' 132' ' ' LEU . 6.6 m -82.66 133.81 28.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.7 m -144.42 165.82 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -79.85 153.5 29.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.824 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -144.99 133.65 22.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.423 ' HG3' ' HB2' ' A' ' 20' ' ' ALA . 16.4 ttpp -138.1 156.82 47.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.1 t -134.82 122.49 38.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.3 t -143.44 177.94 8.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.538 ' HB2' HD21 ' A' ' 15' ' ' LEU . . . -70.38 -27.64 64.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -72.01 -16.89 62.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 133.0 -134.48 7.56 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.5 mm -119.92 149.18 22.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.929 0.395 . . . . 0.0 111.104 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.2 m -138.66 116.39 11.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.174 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 18.9 mt -111.52 139.44 46.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 59.3 m -125.13 140.66 52.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.544 ' OD1' ' CZ ' ' A' ' 78' ' ' PHE . 7.6 m-20 -121.99 135.32 54.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -105.61 -45.29 4.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -65.89 -23.12 66.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 56.25 47.43 19.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt -89.2 -56.53 3.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -94.31 -45.89 7.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.544 ' CZ ' ' OD1' ' A' ' 72' ' ' ASP . 47.6 p90 -151.26 173.45 14.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -107.04 -74.05 0.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -135.97 141.56 44.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -155.41 119.94 4.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -115.07 127.65 55.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -118.75 143.21 33.13 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.677 0.751 . . . . 0.0 110.947 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -169.75 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.321 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.602 HG23 ' CD1' ' A' ' 149' ' ' LEU . 10.9 p -97.01 -17.73 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.158 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -77.19 -30.89 54.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.826 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.4 t -63.17 -47.06 84.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.0 mt -72.38 116.53 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.132 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.418 ' O ' HD11 ' A' ' 150' ' ' LEU . 17.3 p -111.17 -45.75 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -127.99 136.92 51.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.499 ' O ' ' CG2' ' A' ' 146' ' ' THR . 11.8 t -156.56 114.2 3.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.908 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.0 t -162.23 147.02 12.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.826 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.599 ' N ' HG11 ' A' ' 142' ' ' VAL . 2.6 p -44.04 169.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.133 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -63.53 133.46 95.52 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.651 0.738 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.624 ' HG3' ' HB2' ' A' ' 41' ' ' ALA . 53.7 Cg_endo -69.78 -23.47 30.67 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.729 2.286 . . . . 0.0 112.342 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -83.52 -14.71 51.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 57.54 30.12 18.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -73.77 159.54 32.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.82 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.9 mmt85 -113.2 148.49 35.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.446 ' CH2' ' HD2' ' A' ' 53' ' ' ARG . 57.8 t-105 -109.35 119.19 38.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 59.5 m -78.71 91.69 4.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -47.0 160.08 0.35 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.633 0.73 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 0.33 5.83 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.666 2.244 . . . . 0.0 112.358 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -93.8 -33.41 13.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 121.13 42.49 0.47 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.44 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.7 t -149.87 155.18 39.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.342 . . . . 0.0 111.172 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 25.3 p -94.41 156.24 16.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.0 p -153.24 150.83 29.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.44 ' HB3' ' CD ' ' A' ' 131' ' ' GLU . 33.4 tttt -73.01 134.89 44.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 25.4 mt -94.73 137.86 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.506 ' HB3' HG22 ' A' ' 93' ' ' THR . 11.8 p90 -151.71 151.22 31.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -162.76 172.38 38.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.466 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -134.2 157.65 45.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.893 0.377 . . . . 0.0 110.841 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 1.9 t -111.76 114.66 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.157 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -124.19 160.63 27.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -81.29 140.48 34.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.442 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 49.0 tttt -56.97 139.19 78.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.592 0.711 . . . . 0.0 110.896 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.442 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 53.6 Cg_endo -69.84 -8.16 22.9 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 2.27 . . . . 0.0 112.317 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -119.66 -35.23 0.93 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.518 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.2 m -119.15 98.13 50.69 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.659 0.742 . . . . 0.0 110.853 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.415 ' HD2' ' CZ3' ' A' ' 122' ' ' TRP . 53.9 Cg_endo -69.76 -8.49 23.74 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.671 2.247 . . . . 0.0 112.391 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.586 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 29.0 p90 -98.34 16.35 21.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.586 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 43.1 mt-10 -145.7 133.05 20.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -105.13 143.17 33.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 2.4 t -133.53 131.86 57.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.645 ' SG ' ' HB2' ' A' ' 43' ' ' ALA . 15.7 p -102.17 147.56 26.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -122.23 110.93 16.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.794 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.549 ' O ' ' CD1' ' A' ' 129' ' ' PHE . 6.6 tp -75.47 150.89 38.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 128' ' ' LEU . 28.2 m-85 -152.36 171.5 17.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.448 ' HB2' HD21 ' A' ' 26' ' ' LEU . . . -139.58 165.96 25.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.058 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.44 ' CD ' ' HB3' ' A' ' 109' ' ' LYS . 98.2 mt-10 -75.63 110.14 9.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.538 HD12 HG12 ' A' ' 58' ' ' VAL . 9.6 tt -80.57 -45.1 17.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.515 ' OD1' HD23 ' A' ' 132' ' ' LEU . 80.1 m-20 -122.21 146.59 47.21 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.599 0.714 . . . . 0.0 110.891 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -42.87 3.04 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -45.95 -48.89 16.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -111.0 86.47 6.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.599 0.714 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 161.57 45.43 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.676 2.25 . . . . 0.0 112.354 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.777 ' HA ' HD12 ' A' ' 141' ' ' ILE . . . -56.08 -48.46 76.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.083 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -51.13 -42.08 47.82 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.521 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.27 -21.54 66.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.752 0.311 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.777 HD12 ' HA ' ' A' ' 138' ' ' ALA . 34.1 mt -83.46 -73.28 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.599 HG11 ' N ' ' A' ' 93' ' ' THR . 3.4 m -40.66 -46.74 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.094 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 4.9 m -51.11 -63.83 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' PHE . . . . . 0.405 ' C ' ' CD1' ' A' ' 144' ' ' PHE . 6.1 t80 -53.68 -40.78 66.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 32.3 mt -54.52 -72.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.593 ' CB ' HD23 ' A' ' 150' ' ' LEU . 6.4 p -54.76 -36.59 65.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.403 ' NZ ' ' HB3' ' A' ' 147' ' ' LYS . 0.8 OUTLIER -45.43 -60.96 1.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.804 HG13 ' CD2' ' A' ' 149' ' ' LEU . 5.0 p -81.58 -37.46 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.136 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.804 ' CD2' HG13 ' A' ' 148' ' ' VAL . 1.0 OUTLIER -70.22 -71.07 0.26 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.593 HD23 ' CB ' ' A' ' 146' ' ' THR . 2.3 mm? -63.26 -13.88 43.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 153' ' ' ARG . . . -95.37 -66.39 0.98 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.454 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 152' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 151' ' ' GLY . 9.4 pt20 34.15 34.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.829 0.347 . . . . 0.0 110.91 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 151' ' ' GLY . 29.7 mmt180 -67.07 122.53 17.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp 49.06 43.17 22.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 40.8 p -62.79 137.12 58.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -143.47 151.24 23.12 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 155.43 65.79 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.638 2.226 . . . . 0.0 112.367 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 35.7 m -153.89 161.17 42.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 30.4 t -159.01 132.72 7.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.0 p -91.71 108.05 19.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.887 0.375 . . . . 0.0 110.855 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.8 m -84.77 98.65 10.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.846 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.42 87.3 1.44 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.49 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.9 t -137.69 144.1 41.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.877 0.37 . . . . 0.0 110.854 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.3 p -98.89 130.31 45.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.69 78.24 0.26 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.8 mmt -85.59 133.42 34.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.791 0.329 . . . . 0.0 110.856 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.5 p -151.37 118.15 5.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 75.4 p -133.03 108.92 9.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -80.56 -53.57 6.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.704 ' HB2' HH21 ' A' ' 153' ' ' ARG . . . -40.32 -25.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.065 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' ALA . 29.8 m-20 -94.46 -43.45 8.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 mt -52.2 -45.39 65.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.21 -50.14 74.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.3 mtp180 -46.89 -23.35 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -90.04 -56.03 3.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.26 155.16 1.81 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.529 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.95 123.55 40.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 111.078 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.58 ' HB2' ' HD2' ' A' ' 62' ' ' LYS . . . -146.95 121.08 9.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.058 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.0 t -160.83 171.71 18.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.5 m -86.28 136.26 33.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.1 m -125.14 169.08 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.161 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.606 ' C ' HD13 ' A' ' 24' ' ' LEU . 3.3 tm? -105.23 111.6 24.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -76.73 129.43 36.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.8 mt -98.6 -65.86 0.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.0 t -174.33 -179.88 1.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.1 p -138.12 115.57 11.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.554 HG21 ' HA ' ' A' ' 43' ' ' ALA . 85.4 t -106.82 105.58 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -46.28 128.34 9.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.729 HG21 ' HB1' ' A' ' 39' ' ' ALA . 46.8 p -117.16 37.28 3.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.169 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 31' ' ' THR . 6.5 pt-20 -35.09 -43.85 0.22 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.2 t -94.56 -42.52 8.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -68.45 158.33 33.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.409 ' N ' ' HB2' ' A' ' 39' ' ' ALA . 6.7 t -174.5 162.71 3.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.7 -155.54 37.39 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.533 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -11.19 30.32 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -84.07 -46.02 12.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.729 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -49.19 -34.33 14.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.9 t -66.99 -40.48 85.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.454 ' HB1' HE22 ' A' ' 96' ' ' GLN . . . -64.12 -48.41 76.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -44.32 -58.03 3.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.554 ' HA ' HG21 ' A' ' 29' ' ' VAL . . . -49.63 -40.96 41.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.0 m -64.6 -46.41 82.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 m -63.01 -42.11 99.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.02 -31.96 61.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.8 -32.37 72.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.3 mt -92.36 -40.51 10.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.0 t -67.22 -53.17 32.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 43.2 t -52.38 140.82 21.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.546 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 10.7 m -147.71 153.52 43.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.613 0.721 . . . . 0.0 110.897 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 51' ' ' SER . 54.2 Cg_endo -69.77 138.33 48.54 Favored 'Cis proline' 0 C--O 1.231 0.167 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.351 -0.059 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 52' ' ' PRO . 12.1 ptt85 -33.82 141.25 0.23 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.651 0.739 . . . . 0.0 110.876 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 167.98 22.87 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.72 2.28 . . . . 0.0 112.315 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 84.7 m -107.0 109.76 63.25 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.588 0.708 . . . . 0.0 111.139 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.482 ' HB2' HD11 ' A' ' 24' ' ' LEU . 53.1 Cg_endo -69.84 174.94 8.83 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.679 2.252 . . . . 0.0 112.294 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.26 145.26 20.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.095 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.412 HG12 HD12 ' A' ' 132' ' ' LEU . 24.8 m -80.63 136.7 22.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.152 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.5 m -144.58 178.94 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -101.16 142.19 32.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -119.1 147.19 44.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.58 ' HD2' ' HB2' ' A' ' 20' ' ' ALA . 20.0 tptt -147.39 135.8 21.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.6 t -121.03 106.6 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.9 t -134.51 -179.94 5.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.49 -23.37 62.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -74.78 -12.97 60.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.11 -115.7 2.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.518 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 68.3 mt -143.55 133.35 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.902 0.382 . . . . 0.0 111.123 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.7 m -118.82 121.77 40.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.7 mt -116.2 143.36 45.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 37.4 m -140.5 144.85 36.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.084 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -130.17 143.23 50.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -83.9 -57.78 3.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 75' ' ' ARG . 12.8 mp0 -68.95 -14.11 62.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 74' ' ' GLN . 26.0 ptt180 34.77 39.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.3 mttm -57.77 -37.81 74.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.8 mt -113.69 -48.39 2.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -144.2 126.75 15.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.58 ' CD2' ' HB2' ' A' ' 80' ' ' ARG . 57.8 t80 -74.93 -73.05 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.58 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 12.0 ttm-85 -121.39 146.53 46.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -164.9 122.46 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -127.44 135.14 50.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -115.33 148.86 41.73 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.65 0.738 . . . . 0.0 110.944 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 170.66 16.06 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.329 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.65 HG23 HD13 ' A' ' 149' ' ' LEU . 11.0 p -77.14 -23.5 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -74.78 -50.25 17.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.0 p -39.43 -58.51 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 35.4 mt -57.7 108.37 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.182 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.9 p -102.9 -40.12 6.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.174 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -135.17 149.95 50.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.488 ' O ' ' CG2' ' A' ' 146' ' ' THR . 15.9 t -165.06 123.23 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.835 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.1 t -174.17 147.29 1.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.736 HG23 HG21 ' A' ' 142' ' ' VAL . 6.9 p -41.31 156.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -58.64 138.98 86.1 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.568 0.699 . . . . 0.0 110.844 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.447 ' CG ' ' HB2' ' A' ' 41' ' ' ALA . 53.8 Cg_endo -69.74 -51.26 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.717 2.278 . . . . 0.0 112.347 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.454 HE22 ' HB1' ' A' ' 41' ' ' ALA . 1.1 mp0 -58.28 -26.45 63.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.4 t70 65.2 32.61 9.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -73.63 165.14 25.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -110.17 163.87 13.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 61.7 t-105 -126.65 105.4 8.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.9 m -72.01 96.99 1.8 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.176 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -51.4 156.41 2.09 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.643 0.735 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -0.63 7.17 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.67 2.247 . . . . 0.0 112.366 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -96.95 -23.01 16.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 111.38 61.87 0.48 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.528 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.1 t -168.72 149.28 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.903 0.382 . . . . 0.0 111.099 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 42.4 p -92.42 146.05 23.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.1 p -141.64 146.91 36.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.425 ' HD3' ' N ' ' A' ' 110' ' ' ILE . 1.0 OUTLIER -69.54 143.0 53.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.425 ' N ' ' HD3' ' A' ' 109' ' ' LYS . 87.5 mt -99.95 140.47 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.151 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.523 ' CG ' ' HB1' ' A' ' 138' ' ' ALA . 10.7 p90 -162.9 155.75 19.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -172.79 -171.34 37.47 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.412 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 4.1 p90 -142.99 164.86 28.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.897 0.38 . . . . 0.0 110.875 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 10.9 t -106.72 111.38 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.17 163.42 19.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -85.26 154.82 21.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -62.37 154.36 72.14 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.543 0.687 . . . . 0.0 110.931 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -51.13 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -90.03 -14.51 59.07 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.9 m -120.74 88.21 43.44 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.638 0.732 . . . . 0.0 110.872 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -3.77 12.7 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.677 2.251 . . . . 0.0 112.322 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 13.8 p90 -105.26 -0.01 26.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -111.52 168.62 9.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -128.15 141.94 51.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.9 p -152.1 107.04 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.167 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 12.1 t -81.27 145.33 30.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 -115.6 124.56 51.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.9 tp -89.21 149.99 22.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 111' ' ' PHE . 33.3 m-85 -146.21 169.85 17.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.541 ' HB3' HD12 ' A' ' 24' ' ' LEU . . . -136.73 160.94 37.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.1 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -66.82 130.66 43.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.423 HD23 ' C ' ' A' ' 132' ' ' LEU . 7.7 tt -109.81 -51.04 2.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.439 ' CG ' ' HD2' ' A' ' 134' ' ' PRO . 1.8 t70 -112.28 141.27 24.76 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.605 0.717 . . . . 0.0 110.852 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 133' ' ' ASP . 54.0 Cg_endo -69.82 -25.37 28.39 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.671 2.247 . . . . 0.0 112.343 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.78 -43.88 91.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.422 ' HA ' ' HD2' ' A' ' 137' ' ' PRO . 15.6 mm100 -111.14 94.35 20.94 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.583 ' HG2' ' HB2' ' A' ' 140' ' ' ALA . 54.0 Cg_endo -69.79 141.04 44.05 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.68 2.253 . . . . 0.0 112.354 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.523 ' HB1' ' CG ' ' A' ' 111' ' ' PHE . . . -38.43 -48.47 1.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -57.54 -38.88 89.58 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.583 ' HB2' ' HG2' ' A' ' 137' ' ' PRO . . . -62.27 -16.65 55.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.692 0.282 . . . . 0.0 111.067 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' ' 138' ' ' ALA . 57.7 mt -87.7 -73.75 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.811 ' HA ' HD12 ' A' ' 145' ' ' ILE . 3.2 m -41.88 -38.16 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 86.9 m -56.31 -69.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -39.28 -38.32 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.811 HD12 ' HA ' ' A' ' 142' ' ' VAL . 37.3 mt -64.36 -67.2 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 91' ' ' SER . 58.2 p -53.19 -22.94 7.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -75.31 -41.72 56.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.448 ' O ' ' C ' ' A' ' 149' ' ' LEU . 79.7 t -96.7 -70.96 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.08 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.65 HD13 HG23 ' A' ' 85' ' ' VAL . 4.0 mm? -34.29 -70.65 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 30.6 mt -68.17 -32.5 72.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -84.11 78.17 2.04 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.436 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -98.54 74.49 2.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' ARG . . . . . 0.704 HH21 ' HB2' ' A' ' 12' ' ' ALA . 4.6 ppt_? -69.57 -22.19 63.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 47.7 tttt -85.03 96.36 9.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 78.7 p -91.38 155.86 18.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.812 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 122.96 -167.52 15.21 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.71 103.72 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 3.5 m -39.13 -57.78 1.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 83.0 p -110.93 159.06 18.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.856 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.474 -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -104.9 163.23 12.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 110.874 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 t -76.06 122.59 24.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.87 166.44 31.37 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.525 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.6 t -112.32 -52.97 2.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.844 0.354 . . . . 0.0 110.838 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t 50.58 41.62 25.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.26 -137.39 0.72 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.493 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.3 mtt -76.12 119.3 19.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.781 0.324 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.5 m -134.05 170.45 15.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.2 m -121.06 121.02 37.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.118 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 12' ' ' ALA . . . -90.19 -39.69 12.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 11' ' ' ALA . . . -35.17 -61.45 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.092 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -55.08 -53.86 50.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 14' ' ' LEU . 7.8 mt -50.6 -64.46 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.9 mt -52.21 -40.19 61.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.981 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -42.4 -42.95 3.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -58.04 -55.6 32.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.61 107.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.453 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.39 122.61 41.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.842 0.353 . . . . 0.0 111.104 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.621 ' HB2' ' HG3' ' A' ' 62' ' ' LYS . . . -146.47 128.33 15.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.3 m -157.53 171.48 20.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.0 m -80.4 131.44 35.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.1 m -115.9 173.74 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.691 HD11 ' CB ' ' A' ' 56' ' ' PRO . 2.5 tm? -108.98 112.97 25.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.403 ' N ' HD13 ' A' ' 24' ' ' LEU . 50.8 t80 -85.22 100.35 11.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.723 HD12 ' HG ' ' A' ' 128' ' ' LEU . 41.1 mt -66.56 -67.07 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.6 t -173.01 165.59 5.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.7 p -126.5 126.26 43.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.6 t -111.34 142.83 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -73.27 115.97 13.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.686 HG21 ' HB1' ' A' ' 39' ' ' ALA . 71.4 p -112.47 38.78 2.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.186 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -39.4 -49.29 2.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.4 t -92.73 -37.29 12.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.873 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -66.94 135.19 53.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.5 p -146.02 173.87 11.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.45 -153.34 43.45 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -5.33 15.99 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.345 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -80.82 -40.21 25.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.686 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -59.49 -51.78 68.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.0 t -53.2 -44.16 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.404 ' HB2' ' HG3' ' A' ' 95' ' ' PRO . . . -58.14 -47.18 84.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.143 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.1 ttt85 -48.04 -56.27 8.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.478 ' HB2' ' SG ' ' A' ' 126' ' ' CYS . . . -45.28 -45.5 12.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.4 m -70.53 -63.35 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.7 m -40.96 -41.97 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.42 -39.74 62.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.063 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.89 -29.25 59.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.7 mt -99.08 -40.23 8.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.9 m -64.24 -51.62 62.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -73.88 153.61 39.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.51 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 1.5 m -151.47 160.79 31.25 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.636 0.731 . . . . 0.0 110.893 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.2 Cg_endo -69.81 177.55 28.61 Favored 'Cis proline' 0 C--O 1.231 0.156 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.32 0.032 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.529 ' HD2' ' CH2' ' A' ' 100' ' ' TRP . 17.5 mtm180 -62.0 143.02 95.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.582 0.706 . . . . 0.0 110.845 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 162.23 42.91 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.651 2.234 . . . . 0.0 112.381 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 94.1 m -100.66 99.17 9.46 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.586 0.708 . . . . 0.0 111.164 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.691 ' CB ' HD11 ' A' ' 24' ' ' LEU . 54.1 Cg_endo -69.73 152.57 69.5 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.736 2.29 . . . . 0.0 112.324 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -131.06 157.59 42.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.3 t -91.85 126.82 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.153 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.728 HG12 ' OD1' ' A' ' 72' ' ' ASP . 34.0 m -139.6 152.64 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -69.07 156.63 38.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -145.8 132.95 20.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.621 ' HG3' ' HB2' ' A' ' 20' ' ' ALA . 34.2 tttp -140.9 145.26 35.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.49 HG11 ' CD2' ' A' ' 144' ' ' PHE . 77.2 t -121.71 111.71 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.1 t -141.57 174.44 10.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -57.21 -59.41 5.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.075 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -39.93 -25.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . 137.0 -135.45 7.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.466 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.424 HD12 ' CD1' ' A' ' 88' ' ' ILE . 86.9 mt -123.43 131.08 73.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.905 0.383 . . . . 0.0 111.128 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.0 m -116.91 140.56 49.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.9 mt -133.79 136.99 44.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 93.5 m -127.42 147.9 50.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.728 ' OD1' HG12 ' A' ' 59' ' ' VAL . 9.4 t70 -131.56 144.63 51.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -105.98 -43.62 4.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 20.6 mp0 -69.44 -12.08 61.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 43.64 40.99 3.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.1 mttp -65.95 -45.93 80.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.6 mt -119.53 -45.44 2.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -143.89 168.82 19.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -107.33 -60.37 1.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.837 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -145.08 142.35 29.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -159.52 122.69 3.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -122.75 119.31 30.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.826 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -92.77 149.24 37.53 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.672 0.749 . . . . 0.0 110.917 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 85' ' ' VAL . 53.2 Cg_endo -69.76 131.28 20.9 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.263 . . . . 0.0 112.328 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.632 HG23 HD13 ' A' ' 149' ' ' LEU . 14.5 p -35.95 -35.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 87' ' ' SER . 2.8 m120 -64.83 -52.69 55.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 86' ' ' ASN . 14.5 t -34.94 -58.77 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.424 ' CD1' HD12 ' A' ' 68' ' ' ILE . 19.3 mt -57.04 118.16 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 43.1 p -119.04 -47.74 2.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.095 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -122.96 122.69 39.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.6 t -146.19 112.02 5.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.821 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.8 t -164.76 149.09 9.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.976 HG23 HG21 ' A' ' 142' ' ' VAL . 16.8 p -44.17 145.84 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.153 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.435 ' CG ' ' HD2' ' A' ' 95' ' ' PRO . 2.1 t70 -47.36 140.8 7.05 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.587 0.708 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.435 ' HD2' ' CG ' ' A' ' 94' ' ' ASP . 54.2 Cg_endo -69.76 -31.4 20.62 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.722 2.281 . . . . 0.0 112.336 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -75.07 -9.88 58.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 44.16 37.4 1.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -84.46 159.55 20.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -103.97 154.42 19.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.533 ' CD1' HD21 ' A' ' 26' ' ' LEU . 68.7 t-105 -118.45 109.79 16.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.5 m -62.66 105.09 0.6 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.08 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -61.74 161.5 20.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.63 0.728 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 2.95 3.07 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.69 2.26 . . . . 0.0 112.362 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -99.6 -39.49 8.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 142.65 -23.52 2.33 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.3 t -90.19 157.33 17.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.372 . . . . 0.0 111.132 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 68.4 p -98.86 155.81 17.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.158 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.3 p -134.54 163.78 28.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -84.17 127.05 33.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 89.6 mt -81.25 131.65 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.473 ' CD1' ' HB1' ' A' ' 138' ' ' ALA . 7.2 p90 -153.5 161.61 42.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 177.04 164.42 30.77 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.438 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -122.34 169.8 10.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.865 0.364 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 18.4 t -114.03 115.85 50.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.95 140.06 52.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.065 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -66.45 151.91 46.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.474 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 14.7 ttmm -69.76 139.58 88.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 0.0 110.92 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 54.0 Cg_endo -69.74 3.23 2.88 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.717 2.278 . . . . 0.0 112.353 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -126.2 -29.22 0.95 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.503 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.6 m -125.3 97.14 37.83 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.692 0.758 . . . . 0.0 110.85 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.429 ' HG2' ' CE3' ' A' ' 122' ' ' TRP . 54.2 Cg_endo -69.79 -13.51 34.69 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.429 ' CE3' ' HG2' ' A' ' 121' ' ' PRO . 15.2 p90 -92.61 7.02 45.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -125.61 177.39 6.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -146.16 135.05 22.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 71.4 t -127.06 118.31 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.478 ' SG ' ' HB2' ' A' ' 43' ' ' ALA . 15.2 p -87.15 148.34 25.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -122.01 118.56 29.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.723 ' HG ' HD12 ' A' ' 26' ' ' LEU . 8.8 tp -84.29 140.26 31.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -146.34 174.03 11.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -156.41 130.91 8.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.48 ' HB3' ' N ' ' A' ' 138' ' ' ALA . 3.6 pt-20 -46.57 103.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.407 HD23 ' C ' ' A' ' 132' ' ' LEU . 10.4 tt -73.47 -51.97 15.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -88.23 138.27 30.65 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.596 0.712 . . . . 0.0 110.875 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -43.18 2.79 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.673 2.249 . . . . 0.0 112.332 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -44.99 -46.74 11.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.423 ' HA ' ' HD2' ' A' ' 137' ' ' PRO . 12.6 mm100 -114.9 108.26 48.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.605 0.717 . . . . 0.0 110.902 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 136' ' ' GLN . 54.1 Cg_endo -69.74 170.78 15.75 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.698 2.265 . . . . 0.0 112.36 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.651 ' HA ' HD12 ' A' ' 141' ' ' ILE . . . -66.69 -43.63 83.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -54.21 -52.6 42.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.501 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -47.89 -30.64 4.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.771 0.319 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.651 HD12 ' HA ' ' A' ' 138' ' ' ALA . 26.3 mt -75.17 -72.51 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.976 HG21 HG23 ' A' ' 93' ' ' THR . 3.8 m -40.3 -41.99 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 88.5 m -58.88 -56.34 23.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' PHE . . . . . 0.49 ' CD2' HG11 ' A' ' 63' ' ' VAL . 64.1 t80 -58.45 -33.4 69.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.65 HD12 ' HA ' ' A' ' 142' ' ' VAL . 90.1 mt -57.33 -73.17 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.611 ' CB ' HD13 ' A' ' 150' ' ' LEU . 22.0 p -53.19 -37.88 62.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.176 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -44.78 -61.14 1.7 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.707 HG13 ' CD2' ' A' ' 149' ' ' LEU . 7.1 p -81.1 -40.42 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.707 ' CD2' HG13 ' A' ' 148' ' ' VAL . 2.2 mm? -65.17 -70.99 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.611 HD13 ' CB ' ' A' ' 146' ' ' THR . 8.1 mp -63.71 -52.62 59.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.74 107.67 3.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' GLN . . . . . 0.447 ' O ' ' C ' ' A' ' 153' ' ' ARG . 41.9 mt-30 -153.16 123.56 7.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.342 . . . . 0.0 110.916 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 152' ' ' GLN . 0.2 OUTLIER -34.81 142.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -93.74 158.5 15.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 4.5 t -67.24 157.49 33.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -67.01 157.94 50.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 96.13 0.58 Allowed 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.717 2.278 . . . . 0.0 112.361 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.5 m 53.06 51.3 16.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.815 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 72.0 m -99.05 -45.01 6.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.3 m -137.53 172.85 12.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.854 0.359 . . . . 0.0 110.896 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m -127.16 154.64 44.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.93 -126.96 0.14 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.502 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 m -136.64 173.36 11.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.887 0.375 . . . . 0.0 110.838 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.4 p -116.94 173.37 6.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.37 154.58 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.459 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.6 mmt -109.9 42.33 1.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.778 0.323 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 t -94.75 139.32 31.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.45 112.79 2.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.125 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -48.83 -23.44 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.152 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -42.85 -68.22 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.073 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.87 -42.58 76.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 15' ' ' LEU . 6.9 mp -52.61 -67.87 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.859 HD21 HG22 ' A' ' 148' ' ' VAL . 0.5 OUTLIER -35.76 -50.29 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.64 -48.68 49.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.474 ' HG2' ' N ' ' A' ' 18' ' ' GLY . 2.0 pt20 -72.68 -37.2 67.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.474 ' N ' ' HG2' ' A' ' 17' ' ' GLN . . . 62.91 149.5 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.506 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.6 123.03 42.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.874 0.369 . . . . 0.0 111.098 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -147.52 119.34 8.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.6 m -155.82 170.82 21.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -79.8 155.9 27.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.473 HG13 ' HB2' ' A' ' 61' ' ' PHE . 20.6 m -140.79 175.73 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.136 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.554 ' C ' HD13 ' A' ' 24' ' ' LEU . 2.9 tm? -108.63 110.49 21.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.436 ' HE2' HD13 ' A' ' 77' ' ' LEU . 44.1 t80 -81.55 104.64 12.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.739 HD12 ' HG ' ' A' ' 128' ' ' LEU . 74.0 mt -75.05 -65.84 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.924 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.4 t -174.87 160.04 2.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.7 p -119.85 116.0 24.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 52.3 t -103.84 142.18 18.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.15 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -72.16 117.96 14.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.667 HG21 ' HB1' ' A' ' 39' ' ' ALA . 65.9 p -114.24 37.11 3.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.168 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -38.11 -48.66 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 t -93.47 -34.1 13.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.849 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -71.85 139.85 49.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.959 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.2 t -154.01 165.66 35.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.67 -151.95 46.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.466 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -21.25 33.77 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 0.0 112.323 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -66.08 -46.45 77.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.667 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -53.32 -41.91 66.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.042 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.5 t -62.06 -48.67 87.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.18 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.44 -46.64 73.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.096 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.5 ttt85 -55.59 -64.1 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.23 -38.06 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.7 m -71.01 -42.34 69.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.3 t -64.95 -40.51 95.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.825 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.4 -33.98 75.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.079 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.14 -43.78 94.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.3 mt -76.32 -38.55 55.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.4 t -64.59 -50.29 67.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 36.9 t -44.01 138.64 2.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.504 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 27.8 m -149.59 127.92 5.92 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.693 0.759 . . . . 0.0 110.823 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.9 Cg_endo -69.68 140.39 60.03 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.342 -0.102 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.1 ptp85 -41.27 147.18 0.47 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.58 0.705 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 148.42 64.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.656 2.237 . . . . 0.0 112.332 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.6 m -90.8 114.25 60.73 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.624 0.726 . . . . 0.0 111.13 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.548 ' CB ' HD11 ' A' ' 24' ' ' LEU . 53.9 Cg_endo -69.76 174.93 8.79 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.725 2.283 . . . . 0.0 112.377 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.08 154.1 37.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.085 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.7 m -90.03 132.62 34.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.9 m -143.79 171.92 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -92.5 140.78 29.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.473 ' HB2' HG13 ' A' ' 23' ' ' VAL . 6.7 t80 -125.51 121.61 34.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -129.96 140.42 50.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 80.4 t -128.2 111.85 25.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.108 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.4 t -139.22 -175.55 4.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.27 -23.38 62.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.082 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -76.63 -11.25 59.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.4 ' HA2' HD11 ' A' ' 149' ' ' LEU . . . 116.35 -120.42 4.86 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.431 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.5 mt -134.24 132.24 55.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.899 0.38 . . . . 0.0 111.098 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.5 m -118.56 140.09 50.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 56.1 mt -130.63 141.9 50.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.3 m -143.52 121.44 12.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.447 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 15.6 t70 -105.61 122.33 45.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -101.17 20.75 15.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 75' ' ' ARG . 25.7 mm-40 -111.33 -7.73 14.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 74' ' ' GLN . 58.2 mtm180 37.25 44.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -93.85 -56.41 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.436 HD13 ' HE2' ' A' ' 25' ' ' TYR . 13.7 mt -106.68 -44.97 4.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.447 ' CZ ' ' HB2' ' A' ' 72' ' ' ASP . 2.5 p90 -142.38 174.53 10.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -108.43 -58.67 1.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.0 mtp85 -140.66 154.95 46.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -165.35 126.53 1.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -141.02 133.15 27.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -111.99 143.73 29.31 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.737 0.78 . . . . 0.0 110.908 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 149.11 66.58 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.653 2.235 . . . . 0.0 112.36 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.658 HG23 HD13 ' A' ' 149' ' ' LEU . 14.4 p -54.92 -18.53 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 87' ' ' SER . 10.4 t30 -79.08 -60.18 2.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 86' ' ' ASN . 10.6 t -36.14 -49.79 0.68 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 13.0 mt -60.74 123.96 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 81.8 p -124.37 -44.34 2.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -126.98 151.52 48.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.426 ' O ' ' CG2' ' A' ' 146' ' ' THR . 16.4 t -169.74 119.2 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.4 t -168.82 152.1 5.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.76 HG23 HG21 ' A' ' 142' ' ' VAL . 15.6 p -52.32 149.34 5.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -52.74 142.54 32.79 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.569 0.7 . . . . 0.0 110.855 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.447 ' HG2' ' NE2' ' A' ' 96' ' ' GLN . 54.0 Cg_endo -69.78 -34.11 15.18 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.683 2.256 . . . . 0.0 112.344 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.447 ' NE2' ' HG2' ' A' ' 95' ' ' PRO . 28.3 mp0 -76.17 -16.39 59.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 43.14 46.38 5.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -81.88 175.09 10.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -110.86 145.38 38.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 41.1 t-105 -108.36 102.72 11.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.1 m -72.51 94.66 1.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.174 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -50.11 160.59 0.66 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.665 0.745 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -7.08 20.13 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.342 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -88.25 -39.16 14.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 127.73 41.42 0.29 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.0 t -143.21 148.4 36.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.937 0.398 . . . . 0.0 111.125 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.8 p -95.21 156.78 16.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 67.0 m -158.67 156.03 29.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 47.6 tttt -69.24 159.74 32.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 60.1 mt -119.65 139.66 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.431 ' HB3' ' HB1' ' A' ' 138' ' ' ALA . 5.8 p90 -160.95 171.63 18.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 172.16 162.14 23.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -118.5 167.38 11.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.89 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.7 t -117.43 114.63 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.05 148.41 44.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -79.41 153.73 29.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.946 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.471 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 10.3 ttmm -71.01 139.76 85.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.587 0.708 . . . . 0.0 110.886 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 53.8 Cg_endo -69.71 -9.88 27.21 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.724 2.283 . . . . 0.0 112.353 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -119.6 -15.91 5.23 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.461 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.406 ' HA ' ' HD2' ' A' ' 121' ' ' PRO . 73.2 m -134.08 96.23 16.16 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.643 0.735 . . . . 0.0 110.861 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 120' ' ' SER . 54.0 Cg_endo -69.76 -1.36 8.34 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.678 2.252 . . . . 0.0 112.351 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.581 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 36.2 p90 -112.44 -0.36 15.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.581 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 69.0 mt-10 -120.09 106.91 12.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -80.6 142.1 34.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 45.7 t -130.76 111.83 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.112 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 2.7 t -90.64 143.56 26.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 17.5 m80 -117.54 124.62 49.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.739 ' HG ' HD12 ' A' ' 26' ' ' LEU . 13.5 tp -87.28 148.3 25.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.536 ' CD1' ' O ' ' A' ' 128' ' ' LEU . 42.1 m-85 -154.91 168.61 26.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.408 ' HB2' HD11 ' A' ' 26' ' ' LEU . . . -141.85 150.11 41.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.404 ' O ' ' CD ' ' A' ' 131' ' ' GLU . 2.7 pp20? -60.35 113.39 2.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.487 HD23 ' C ' ' A' ' 132' ' ' LEU . 9.5 tt -84.72 -47.18 10.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.496 ' HB2' ' CG ' ' A' ' 136' ' ' GLN . 4.2 m-20 -94.87 139.75 22.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.589 0.709 . . . . 0.0 110.869 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -50.8 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.719 2.279 . . . . 0.0 112.341 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -51.99 -36.61 50.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.847 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.496 ' CG ' ' HB2' ' A' ' 133' ' ' ASP . 20.7 pt20 -113.68 96.27 40.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.598 0.714 . . . . 0.0 110.946 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 162.33 42.45 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.677 2.252 . . . . 0.0 112.338 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.731 ' HA ' HD12 ' A' ' 141' ' ' ILE . . . -46.05 -49.14 16.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -49.79 -55.9 13.18 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.526 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -42.59 -25.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.752 0.311 . . . . 0.0 111.079 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.731 HD12 ' HA ' ' A' ' 138' ' ' ALA . 23.7 mt -81.12 -70.93 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.76 HG21 HG23 ' A' ' 93' ' ' THR . 14.3 m -45.61 -44.48 4.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.417 ' N ' HG23 ' A' ' 142' ' ' VAL . 43.4 m -50.81 -53.26 33.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -58.79 -43.21 90.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.729 HD12 ' HA ' ' A' ' 142' ' ' VAL . 80.7 mt -52.04 -73.66 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.541 ' HA ' HD13 ' A' ' 150' ' ' LEU . 44.3 p -48.83 -40.94 31.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.087 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -53.55 -41.05 66.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.859 HG22 HD21 ' A' ' 15' ' ' LEU . 94.8 t -94.44 -62.84 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.658 HD13 HG23 ' A' ' 85' ' ' VAL . 3.5 mm? -48.16 -69.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.541 HD13 ' HA ' ' A' ' 146' ' ' THR . 6.6 mp -66.63 -36.77 83.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -101.3 61.13 0.58 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.523 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -80.06 88.72 5.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 110.902 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -57.23 157.02 6.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -101.95 153.48 19.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 58.3 p -143.64 177.63 8.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -98.24 162.49 20.86 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.454 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 107.13 1.79 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.664 2.243 . . . . 0.0 112.363 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 23.8 t -124.43 107.34 11.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 97.1 p -149.67 153.48 37.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.9 m -73.68 -59.08 2.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.953 0.406 . . . . 0.0 110.885 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 t -70.91 97.5 1.43 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.54 83.29 0.33 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.2 p -147.5 126.98 13.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.928 0.394 . . . . 0.0 110.844 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.8 m -153.94 122.94 6.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.26 121.98 2.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.461 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.9 ptm -129.74 121.57 27.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.781 0.324 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.8 t -114.81 143.17 45.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.84 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 67.5 p -85.39 144.33 28.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -48.64 -54.08 16.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -40.4 -46.38 2.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -76.96 -51.01 11.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 17' ' ' GLN . 2.3 mt -42.64 -71.48 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.414 HD21 HG21 ' A' ' 148' ' ' VAL . 30.1 mt -43.04 -38.62 2.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.9 ttm-85 -67.96 -36.52 80.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 14' ' ' LEU . 6.9 tp-100 -65.27 -48.59 72.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.926 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.53 129.01 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.452 ' HB3' ' CD2' ' A' ' 144' ' ' PHE . . . -127.39 121.45 30.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.336 . . . . 0.0 111.125 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.17 124.3 15.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.9 p -150.19 -178.05 6.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 m -88.39 140.52 29.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.509 HG13 ' HB2' ' A' ' 61' ' ' PHE . 32.7 m -124.42 152.42 30.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.118 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.528 ' C ' HD13 ' A' ' 24' ' ' LEU . 3.4 tm? -98.62 108.39 21.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.457 ' HE2' HD21 ' A' ' 77' ' ' LEU . 39.7 t80 -77.76 125.31 29.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.726 HD12 ' HG ' ' A' ' 128' ' ' LEU . 32.9 mt -96.28 -67.01 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.6 t -169.87 -178.45 2.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.6 p -141.96 120.46 12.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.0 t -113.67 115.55 50.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -50.93 131.13 26.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.842 HG21 ' HB1' ' A' ' 39' ' ' ALA . 18.6 p -118.18 35.89 4.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.099 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 31' ' ' THR . 0.5 OUTLIER -33.79 -45.71 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 t -95.26 -35.2 11.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 31' ' ' THR . 1.7 mm? -72.62 151.68 42.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -170.48 156.23 5.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.78 -153.96 35.27 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.429 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 3.26 2.88 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.709 2.272 . . . . 0.0 112.321 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -96.99 -40.05 9.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.842 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -56.72 -42.14 78.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.088 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.5 t -59.72 -33.43 52.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 42' ' ' ARG . . . -67.64 -61.03 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 41' ' ' ALA . 37.5 ttt180 -35.94 -59.76 0.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.18 -60.2 1.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.4 m -54.43 -56.83 14.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.3 t -48.29 -34.14 9.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.19 -39.95 46.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.89 -31.1 66.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.4 mt -97.74 -38.64 9.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.2 t -64.28 -52.31 59.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -76.8 148.15 36.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.509 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 1.5 m -149.97 160.84 32.83 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.687 0.756 . . . . 0.0 110.849 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.9 Cg_endo -69.77 147.1 83.98 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.723 -1.782 . . . . 0.0 112.351 0.03 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.4 ptt-85 -39.58 144.59 0.48 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.607 0.718 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 162.59 41.46 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.754 2.303 . . . . 0.0 112.354 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.4 m -99.76 109.09 54.45 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.551 0.691 . . . . 0.0 111.142 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 173.1 11.45 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.723 2.282 . . . . 0.0 112.356 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.48 155.24 42.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.09 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.7 t -92.79 126.1 45.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.673 HG12 ' HB3' ' A' ' 72' ' ' ASP . 30.2 m -142.12 179.56 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -103.47 165.12 11.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.509 ' HB2' HG13 ' A' ' 23' ' ' VAL . 12.4 t80 -143.14 138.81 30.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -144.25 136.54 26.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.9 t -117.68 115.83 49.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.157 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.0 m -139.17 179.78 6.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.813 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.91 -19.5 62.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.11 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -79.42 -20.5 47.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 132.96 -154.3 21.09 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 41.4 mt -103.11 143.46 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.884 0.374 . . . . 0.0 111.156 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.436 HG23 ' HB2' ' A' ' 82' ' ' HIS . 7.0 m -133.29 134.5 43.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.148 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.7 mt -127.58 106.99 9.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 56.8 m -106.85 139.55 41.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.673 ' HB3' HG12 ' A' ' 59' ' ' VAL . 6.9 p-10 -131.42 143.67 50.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -111.42 19.55 18.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -97.39 -38.6 9.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.8 mtp180 56.14 30.79 17.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -100.67 -68.25 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.457 HD21 ' HE2' ' A' ' 25' ' ' TYR . 55.6 tp -75.51 -43.62 48.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.501 ' CE1' HG11 ' A' ' 59' ' ' VAL . 4.5 p90 -162.43 -179.45 6.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.416 ' CG ' ' N ' ' A' ' 80' ' ' ARG . 37.2 t80 -118.15 171.15 8.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.416 ' N ' ' CG ' ' A' ' 79' ' ' PHE . 19.6 ttt-85 -40.36 144.12 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 33.3 mtp180 -147.87 120.05 8.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.436 ' HB2' HG23 ' A' ' 69' ' ' THR . 4.8 t60 -112.64 142.42 45.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.507 ' CD1' ' N ' ' A' ' 83' ' ' TYR . 0.3 OUTLIER -128.85 145.48 56.59 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.644 0.735 . . . . 0.0 110.978 -179.856 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 170.33 16.79 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.731 2.287 . . . . 0.0 112.319 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.723 HG23 ' CD1' ' A' ' 149' ' ' LEU . 11.7 p -86.3 -12.78 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 39.6 m-20 -82.02 -18.47 43.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.7 t -84.2 -38.87 20.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 13.4 mt -75.26 116.95 18.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 32.9 p -121.63 -36.94 2.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -121.24 145.18 48.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.0 t -170.89 113.34 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.4 t -165.8 146.33 6.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.913 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.867 HG23 HG21 ' A' ' 142' ' ' VAL . 4.0 p -46.39 150.17 0.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -53.53 141.9 42.78 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.539 0.685 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.476 ' HG2' ' NE2' ' A' ' 96' ' ' GLN . 53.6 Cg_endo -69.74 -40.58 5.19 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.652 2.234 . . . . 0.0 112.38 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.476 ' NE2' ' HG2' ' A' ' 95' ' ' PRO . 28.6 mp0 -71.76 -18.23 62.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 49.7 45.88 24.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -83.92 160.18 21.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 -102.03 148.42 25.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.499 ' CD2' HD22 ' A' ' 26' ' ' LEU . 50.1 t-105 -111.05 116.58 31.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.5 m -78.32 98.39 5.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -64.33 160.68 48.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.627 0.727 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -8.46 23.66 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.696 2.264 . . . . 0.0 112.379 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -88.95 5.69 42.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 75.63 59.07 3.62 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.459 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.0 t -163.34 162.76 25.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 0.0 111.152 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 10.7 p -108.48 154.69 21.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 45.6 p -149.47 161.08 42.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -79.36 138.57 37.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 69.0 mt -94.72 139.61 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.435 ' HB3' ' HB1' ' A' ' 138' ' ' ALA . 5.5 p90 -158.84 173.15 16.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 170.48 170.58 34.94 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.417 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 2.5 p90 -128.44 159.26 35.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.6 t -106.62 116.79 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.182 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -129.82 146.41 51.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -66.89 149.21 50.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.477 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 28.9 ttmt -60.35 139.85 91.84 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.534 0.683 . . . . 0.0 110.901 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.477 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 53.3 Cg_endo -69.8 -8.79 24.5 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.705 2.27 . . . . 0.0 112.331 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -120.73 -3.66 10.99 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.463 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.3 m -158.24 105.0 1.7 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.64 0.733 . . . . 0.0 110.882 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -8.07 22.65 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.642 2.228 . . . . 0.0 112.364 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.535 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 8.4 p90 -97.18 3.83 51.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.535 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 18.4 mt-10 -121.73 127.32 50.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.46 138.37 39.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.2 p -152.21 112.9 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 41.8 t -85.85 156.69 20.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -118.25 120.61 38.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.726 ' HG ' HD12 ' A' ' 26' ' ' LEU . 10.5 tp -77.53 143.83 38.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.428 ' CD1' ' O ' ' A' ' 128' ' ' LEU . 24.2 m-85 -152.19 172.84 15.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.516 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -144.56 155.17 43.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.079 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.52 102.86 0.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.444 ' C ' ' CD1' ' A' ' 132' ' ' LEU . 0.2 OUTLIER -57.69 -59.45 5.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.96 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -100.33 150.36 36.86 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.612 0.72 . . . . 0.0 110.904 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -41.76 3.99 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.67 2.247 . . . . 0.0 112.31 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -53.87 -41.08 67.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -108.4 89.17 5.66 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.573 0.702 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 156.46 63.28 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.692 2.262 . . . . 0.0 112.343 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.781 ' HA ' HD12 ' A' ' 141' ' ' ILE . . . -49.01 -49.34 41.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.12 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -48.58 -48.76 28.29 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.459 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.04 -19.86 5.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.743 0.306 . . . . 0.0 111.101 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.781 HD12 ' HA ' ' A' ' 138' ' ' ALA . 32.7 mt -85.86 -73.83 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.867 HG21 HG23 ' A' ' 93' ' ' THR . 3.7 m -43.98 -37.81 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 39.8 m -61.06 -57.22 13.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.193 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' PHE . . . . . 0.452 ' CD2' ' HB3' ' A' ' 19' ' ' ALA . 4.2 t80 -54.15 -35.43 62.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.704 HD12 ' HA ' ' A' ' 142' ' ' VAL . 65.1 mt -63.26 -72.21 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 44.9 p -50.06 -18.0 0.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.179 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 7.2 mtpp -74.36 -49.63 21.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.598 HG13 HD22 ' A' ' 149' ' ' LEU . 7.2 p -96.64 -49.74 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.723 ' CD1' HG23 ' A' ' 85' ' ' VAL . 4.3 mm? -55.58 -69.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 10.5 mp -67.79 -37.54 82.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -60.58 -111.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.538 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -154.63 172.92 17.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.762 0.315 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' ARG . . . . . 0.416 ' HD2' ' C ' ' A' ' 153' ' ' ARG . 7.7 ppt_? -126.12 170.45 11.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 19.6 mmtp -126.99 -53.23 1.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 2.5 m -133.99 164.88 26.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.862 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -117.63 127.23 7.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.503 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 97.05 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.748 2.299 . . . . 0.0 112.343 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 8.4 t -102.56 131.33 49.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.812 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 86.0 p -78.76 112.41 15.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.9 p -140.81 154.45 46.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.909 0.385 . . . . 0.0 110.891 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 t -83.56 128.96 34.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.807 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.55 173.51 35.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.3 p -140.09 161.73 36.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.352 . . . . 0.0 110.864 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.5 p -143.25 109.46 5.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.09 -44.67 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.502 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.6 mtm -82.17 -54.58 5.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.757 0.313 . . . . 0.0 110.846 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 m -48.09 126.28 10.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.624 HG23 ' H ' ' A' ' 13' ' ' ASP . 12.3 t -101.62 154.51 18.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.15 -33.71 75.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.54 -56.15 23.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.073 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.624 ' H ' HG23 ' A' ' 10' ' ' THR . 2.9 m-20 -57.98 -39.26 77.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.564 HD23 ' O ' ' A' ' 10' ' ' THR . 0.4 OUTLIER -52.09 -52.9 48.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mt -45.57 -55.8 5.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.74 -41.27 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -70.44 -50.92 33.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.64 137.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.502 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.93 119.2 31.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.341 . . . . 0.0 111.063 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.51 121.23 13.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 p -156.03 167.67 29.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.7 m -79.14 133.98 36.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.0 m -119.81 178.45 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.723 HD11 ' HB2' ' A' ' 56' ' ' PRO . 2.3 tm? -108.58 113.58 26.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -89.31 95.96 10.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.562 HD22 ' CD2' ' A' ' 100' ' ' TRP . 48.6 mt -61.03 -66.9 0.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.6 t -172.74 165.09 5.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.164 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.3 t -117.95 115.73 25.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.581 HG21 ' HA ' ' A' ' 43' ' ' ALA . 74.0 t -102.08 129.25 53.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.168 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -65.24 117.6 8.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.614 HG21 ' HB1' ' A' ' 39' ' ' ALA . 76.5 p -118.3 37.43 4.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 31' ' ' THR . 11.0 pt-20 -34.81 -48.43 0.39 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.42 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 22.7 t -94.55 -38.7 10.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.849 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -66.42 134.78 53.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.9 p -143.48 -176.92 5.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.95 -148.1 13.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -29.32 23.75 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.655 2.237 . . . . 0.0 112.361 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -57.99 -40.39 80.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.614 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -65.87 -47.25 75.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.087 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.566 HG12 ' OD1' ' A' ' 94' ' ' ASP . 98.6 t -59.31 -44.2 91.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.173 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.489 ' HB2' ' HG2' ' A' ' 95' ' ' PRO . . . -60.9 -61.07 2.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.084 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 41' ' ' ALA . 14.3 ttt180 -36.95 -60.87 0.59 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.672 ' HB2' ' SG ' ' A' ' 126' ' ' CYS . . . -41.12 -51.75 3.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.074 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.447 ' OG ' HD11 ' A' ' 128' ' ' LEU . 17.0 m -59.76 -44.32 93.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 t -57.76 -43.61 85.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.85 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.12 -37.27 66.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.072 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.18 -34.6 64.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.046 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mt -98.85 -35.73 10.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.4 t -64.45 -52.33 58.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.841 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -73.04 146.83 45.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.517 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 3.8 m -149.87 157.75 37.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.702 0.763 . . . . 0.0 110.84 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.9 Cg_endo -69.71 130.25 16.24 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.724 -1.782 . . . . 0.0 112.331 -0.057 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.568 ' HD3' ' CH2' ' A' ' 100' ' ' TRP . 4.4 ptp85 -34.62 142.29 0.24 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.65 0.738 . . . . 0.0 110.854 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 145.47 57.38 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 98.1 m -77.11 116.43 57.36 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.595 0.712 . . . . 0.0 111.135 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.723 ' HB2' HD11 ' A' ' 24' ' ' LEU . 54.0 Cg_endo -69.78 148.33 64.7 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.396 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -124.7 142.28 51.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.104 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.452 HG13 ' O ' ' A' ' 58' ' ' VAL . 8.3 p -90.98 127.73 43.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.508 HG12 ' HA ' ' A' ' 72' ' ' ASP . 27.6 m -136.22 171.69 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -82.74 146.94 28.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.426 ' HZ ' HD11 ' A' ' 145' ' ' ILE . 10.9 t80 -128.08 121.1 28.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -130.75 133.12 45.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.1 t -113.08 98.82 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -127.69 176.63 7.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.58 -47.73 84.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -45.93 -33.67 3.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 142.5 -129.49 3.87 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.469 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.4 mm -122.46 138.46 52.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 0.0 111.167 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.8 m -126.36 142.4 51.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.183 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.5 mt -144.02 132.51 22.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.5 m -130.65 137.09 49.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.508 ' HA ' HG12 ' A' ' 59' ' ' VAL . 30.3 t0 -113.25 -48.52 2.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.4 m120 63.61 25.08 14.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -106.16 -21.67 13.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 54.78 45.56 26.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -118.04 -48.2 2.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mt -112.19 -44.9 3.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.542 ' CG ' ' O ' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -165.79 106.6 0.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 78' ' ' PHE . 54.9 t80 -36.67 -60.31 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.402 ' HD3' ' C ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -173.9 147.16 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.846 -179.896 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -145.84 134.29 21.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -111.89 137.58 49.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -116.63 145.3 35.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.689 0.757 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -175.86 1.29 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.69 2.26 . . . . 0.0 112.364 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.626 HG23 ' CD1' ' A' ' 149' ' ' LEU . 13.7 p -92.36 -30.42 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.178 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 87' ' ' SER . 4.6 m-20 -69.15 -57.01 5.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.483 ' O ' HG23 ' A' ' 89' ' ' THR . 94.9 p -35.99 -48.46 0.59 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.0 mt -59.36 129.16 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.138 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 87' ' ' SER . 30.4 p -132.91 -50.12 0.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -119.95 140.12 51.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.6 t -162.25 111.2 1.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.6 m -166.58 153.65 9.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.831 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.606 HG23 HG21 ' A' ' 142' ' ' VAL . 8.8 p -47.61 139.6 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.17 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.566 ' OD1' HG12 ' A' ' 40' ' ' VAL . 2.9 t70 -42.09 135.79 2.3 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.63 0.729 . . . . 0.0 110.856 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.489 ' HG2' ' HB2' ' A' ' 41' ' ' ALA . 53.5 Cg_endo -69.77 -6.6 18.98 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.322 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -95.34 -24.25 16.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 52.39 44.23 30.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.435 ' HB3' HD12 ' A' ' 110' ' ' ILE . 9.2 ttm180 -87.48 176.65 7.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -114.26 141.93 46.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.568 ' CH2' ' HD3' ' A' ' 53' ' ' ARG . 52.0 t-105 -108.02 102.61 11.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.9 m -69.62 92.53 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.16 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -48.65 156.13 0.91 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.642 0.734 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 0.08 6.19 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.742 2.295 . . . . 0.0 112.301 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -92.38 -43.48 9.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 134.25 41.01 0.16 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 29.3 p -146.53 164.79 31.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.895 0.378 . . . . 0.0 111.127 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.0 p -107.8 157.44 18.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 24.0 p -157.91 161.51 38.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -81.71 142.15 32.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.435 HD12 ' HB3' ' A' ' 98' ' ' ARG . 23.2 mt -98.77 126.46 51.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 129' ' ' PHE . 13.5 p90 -144.64 165.27 28.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 170.89 161.12 21.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -112.9 173.91 6.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 21.0 t -119.34 104.15 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.101 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -109.25 159.46 16.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.082 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -85.02 137.07 33.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.475 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 24.3 tttm -46.08 140.71 4.91 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.586 0.708 . . . . 0.0 110.878 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 54.0 Cg_endo -69.72 -14.34 36.06 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.728 2.285 . . . . 0.0 112.332 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -104.52 -34.4 3.6 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.513 ' HB3' ' CE2' ' A' ' 122' ' ' TRP . 74.5 m -131.71 121.12 17.95 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.64 0.733 . . . . 0.0 110.915 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.443 ' HD2' ' CZ3' ' A' ' 122' ' ' TRP . 53.7 Cg_endo -69.72 -28.11 25.83 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.71 2.273 . . . . 0.0 112.344 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.532 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 42.7 p90 -76.28 -22.96 54.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.532 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 21.9 mt-10 -96.8 116.87 29.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -98.92 139.43 34.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 93.0 t -125.76 115.54 43.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.672 ' SG ' ' HB2' ' A' ' 43' ' ' ALA . 12.7 p -80.16 130.45 35.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.864 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -105.84 108.95 20.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.447 HD11 ' OG ' ' A' ' 44' ' ' SER . 8.2 tp -81.51 150.79 28.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' A' ' 111' ' ' PHE . 51.3 m-85 -151.88 171.12 18.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -145.16 145.0 31.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.62 ' HG3' ' HB2' ' A' ' 138' ' ' ALA . 40.4 mt-10 -53.91 119.92 5.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 7.3 tp -88.18 -52.22 5.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.434 ' CG ' ' HD2' ' A' ' 134' ' ' PRO . 5.7 t70 -111.45 140.17 22.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.614 0.721 . . . . 0.0 110.915 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.434 ' HD2' ' CG ' ' A' ' 133' ' ' ASP . 53.9 Cg_endo -69.7 -25.55 28.76 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.06 -45.38 87.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -108.63 110.37 61.37 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.584 0.706 . . . . 0.0 110.911 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 151.73 68.81 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.659 2.239 . . . . 0.0 112.352 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.636 ' HA ' HD12 ' A' ' 141' ' ' ILE . . . -56.82 -39.1 73.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -55.39 -52.44 47.66 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.511 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -49.62 -36.07 23.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.79 0.329 . . . . 0.0 111.093 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.636 HD12 ' HA ' ' A' ' 138' ' ' ALA . 22.0 mt -70.84 -71.84 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.606 HG21 HG23 ' A' ' 93' ' ' THR . 15.5 m -46.05 -45.1 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.442 ' N ' HG23 ' A' ' 142' ' ' VAL . 98.4 m -58.6 -49.55 77.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -56.37 -44.59 80.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.475 ' O ' HD23 ' A' ' 149' ' ' LEU . 93.9 mt -51.28 -62.88 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.5 ' HA ' HD13 ' A' ' 150' ' ' LEU . 58.9 p -59.02 -42.63 90.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.102 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -48.95 -43.74 40.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 91.8 t -91.3 -61.45 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.626 ' CD1' HG23 ' A' ' 85' ' ' VAL . 4.1 mm? -48.89 -70.9 0.08 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.5 HD13 ' HA ' ' A' ' 146' ' ' THR . 6.1 mp -62.49 -45.33 93.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -90.95 79.9 1.36 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.469 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -122.94 85.93 2.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.768 0.318 . . . . 0.0 110.904 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -96.1 93.47 6.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt 54.13 45.93 26.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 33.3 m -81.35 130.82 35.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.84 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 130.04 68.75 0.11 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.484 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -175.88 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.631 2.221 . . . . 0.0 112.298 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 32.9 p -54.91 158.72 2.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 16.5 m -125.61 155.53 40.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.7 t -109.88 -45.94 3.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.852 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.7 p 44.79 41.16 4.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.72 109.72 1.44 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.474 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.1 t -169.04 127.5 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 110.848 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.2 p -64.85 142.83 58.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.65 175.93 17.26 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.1 mmt -111.63 87.51 2.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.5 m -148.38 119.15 7.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.444 HG23 ' HB2' ' A' ' 13' ' ' ASP . 1.5 t -70.07 151.97 44.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.16 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.5 -39.91 24.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.07 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -45.25 -51.35 10.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.145 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.444 ' HB2' HG23 ' A' ' 10' ' ' THR . 1.7 m-20 -63.07 -58.74 6.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.2 mt -38.19 -55.83 1.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.12 -41.36 12.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.8 mmt-85 -52.33 -34.02 45.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -84.79 -74.89 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.94 140.63 3.32 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.53 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.12 119.7 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.782 0.325 . . . . 0.0 111.116 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -140.7 127.81 20.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.1 m -160.15 179.09 9.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 p -87.87 130.18 34.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.405 HG22 ' HB2' ' A' ' 61' ' ' PHE . 22.2 m -116.13 166.15 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.142 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.68 ' C ' HD13 ' A' ' 24' ' ' LEU . 1.3 tm? -98.55 117.2 32.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.675 ' N ' HD13 ' A' ' 24' ' ' LEU . 68.1 t80 -88.83 116.75 27.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.563 HD11 ' HB2' ' A' ' 130' ' ' ALA . 16.1 mt -89.06 -69.5 0.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.9 t -174.4 173.69 2.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.147 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.6 p -135.99 128.11 29.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.804 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.3 t -111.3 132.52 59.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -59.6 116.14 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.771 HG21 ' HB1' ' A' ' 39' ' ' ALA . 61.7 p -114.28 42.84 2.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.148 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -42.42 -50.5 5.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 t -91.66 -30.07 16.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -75.23 136.98 40.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.2 t -153.73 170.47 20.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.12 -156.77 53.57 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.449 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 2.23 3.73 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.717 2.278 . . . . 0.0 112.341 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -88.06 -48.02 8.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.771 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -52.16 -46.19 65.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.5 t -61.99 -23.92 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.431 ' HB2' ' HG3' ' A' ' 95' ' ' PRO . . . -79.83 -33.82 39.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.083 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 45' ' ' SER . 16.6 ttt85 -68.02 -60.1 2.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.31 -51.69 2.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 p -61.33 -32.82 72.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 49' ' ' SER . 5.5 t -62.29 -42.24 99.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.858 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.2 -30.35 54.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.093 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.74 -39.13 76.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.127 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mt -98.98 -34.44 10.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 45' ' ' SER . 45.2 t -65.37 -44.64 86.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 87.3 m -61.22 137.86 58.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.489 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 15.4 m -137.97 128.0 15.25 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.681 0.753 . . . . 0.0 110.852 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.8 Cg_endo -69.77 178.77 24.33 Favored 'Cis proline' 0 C--N 1.342 0.224 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.354 -0.016 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.7 mtt85 -83.8 150.26 58.69 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.623 0.725 . . . . 0.0 110.861 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 165.57 30.57 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.664 2.243 . . . . 0.0 112.337 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 93.8 m -105.45 118.63 55.17 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.578 0.704 . . . . 0.0 111.145 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.6 ' CB ' HD11 ' A' ' 24' ' ' LEU . 53.1 Cg_endo -69.79 177.73 5.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.254 . . . . 0.0 112.339 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.36 141.02 18.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.1 m -80.91 131.12 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.597 HG12 ' HB3' ' A' ' 72' ' ' ASP . 5.1 m -144.33 -179.61 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -95.34 159.14 15.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.405 ' HB2' HG22 ' A' ' 23' ' ' VAL . 38.4 t80 -144.25 143.84 31.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -151.33 152.76 33.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.416 HG11 ' CD2' ' A' ' 144' ' ' PHE . 41.0 t -132.27 110.47 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.8 m -132.43 -175.94 3.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.3 -18.26 60.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.045 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -82.62 -19.24 38.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.425 ' HA2' HD11 ' A' ' 149' ' ' LEU . . . 134.08 -143.8 15.58 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.533 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.1 mt -116.15 129.85 71.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 111.133 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.1 m -113.4 123.96 51.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.3 mt -119.73 130.49 55.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 58.1 m -145.69 136.17 24.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.159 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.597 ' HB3' HG12 ' A' ' 59' ' ' VAL . 0.6 OUTLIER -112.6 176.71 4.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.899 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -114.94 -17.02 11.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.51 -8.38 41.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 40.54 46.4 2.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.0 mmtm -80.48 -71.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.474 HD22 ' N ' ' A' ' 77' ' ' LEU . 3.5 mm? -73.7 -40.74 63.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.482 ' CD1' ' HB2' ' A' ' 81' ' ' ARG . 15.8 p90 -169.9 140.11 2.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -67.71 -66.99 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -123.99 146.17 48.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.482 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 18.6 ttm-85 -166.5 129.92 1.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -145.47 150.53 36.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -118.69 146.46 39.97 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.665 0.745 . . . . 0.0 110.924 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 147.75 63.62 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.679 2.253 . . . . 0.0 112.366 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.706 HG23 HD13 ' A' ' 149' ' ' LEU . 14.3 p -52.76 -32.35 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.158 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 87' ' ' SER . 30.6 t-20 -65.31 -63.77 1.02 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 86' ' ' ASN . 3.7 m -35.32 -47.5 0.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 50.2 mt -70.86 101.31 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.14 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 43.3 p -105.9 -22.46 12.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -140.76 150.09 42.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.0 t -171.13 114.86 0.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.8 p -167.76 155.15 8.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.931 HG23 HG21 ' A' ' 142' ' ' VAL . 28.7 p -46.34 159.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.115 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.415 ' CG ' ' HD2' ' A' ' 95' ' ' PRO . 7.9 t70 -65.23 139.63 97.61 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.589 0.709 . . . . 0.0 110.828 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.431 ' HG3' ' HB2' ' A' ' 41' ' ' ALA . 53.3 Cg_endo -69.77 -40.08 5.73 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 2.247 . . . . 0.0 112.313 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -55.62 -17.34 5.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.0 t0 49.48 33.42 5.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 70.2 mtt-85 -91.08 175.97 6.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.3 mmt85 -115.25 159.47 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 49.7 t-105 -110.16 112.9 25.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.2 m -70.7 95.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -49.1 156.12 1.02 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.601 0.715 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -0.15 6.52 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.703 2.269 . . . . 0.0 112.379 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -98.21 -31.28 12.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 126.3 28.28 1.02 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.44 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 75.0 p -129.45 171.99 11.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.854 0.359 . . . . 0.0 111.154 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.2 p -118.14 144.93 45.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.152 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.5 m -136.51 173.66 11.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -88.37 132.05 34.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 54.9 mt -90.76 138.38 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.415 ' O ' ' N ' ' A' ' 129' ' ' PHE . 8.0 p90 -157.99 166.94 31.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 176.18 -168.69 40.99 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -152.94 167.54 28.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.5 t -118.76 122.33 69.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.158 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -132.78 141.12 48.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.079 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 46.6 mttm -67.62 145.03 55.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.465 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 43.2 tttt -69.21 140.4 90.6 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.554 0.693 . . . . 0.0 110.934 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 54.0 Cg_endo -69.81 -24.93 28.91 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.669 2.246 . . . . 0.0 112.336 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -103.03 -29.38 5.8 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.466 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.498 ' HB3' ' CG ' ' A' ' 123' ' ' GLU . 59.1 m -120.76 82.53 34.78 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.645 0.735 . . . . 0.0 110.881 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -1.13 7.93 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.703 2.269 . . . . 0.0 112.379 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.428 ' CD1' ' HG2' ' A' ' 123' ' ' GLU . 15.6 p90 -98.13 7.18 46.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.498 ' CG ' ' HB3' ' A' ' 120' ' ' SER . 0.5 OUTLIER -149.2 134.95 18.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -93.81 150.83 20.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 41.8 t -134.85 133.16 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.9 t -109.7 141.72 41.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -113.97 112.58 23.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.422 ' HG ' HD12 ' A' ' 26' ' ' LEU . 10.6 tp -75.14 148.79 39.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 111' ' ' PHE . 36.5 m-85 -151.6 172.02 16.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.563 ' HB2' HD11 ' A' ' 26' ' ' LEU . . . -149.99 159.17 44.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.063 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.821 ' HG3' ' HB2' ' A' ' 138' ' ' ALA . 26.3 mt-10 -61.59 130.63 46.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.42 HD23 ' C ' ' A' ' 132' ' ' LEU . 10.3 tt -113.64 -48.21 2.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.431 ' CG ' ' HD2' ' A' ' 134' ' ' PRO . 4.4 t70 -110.79 141.08 23.37 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.547 0.689 . . . . 0.0 110.91 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.431 ' HD2' ' CG ' ' A' ' 133' ' ' ASP . 53.8 Cg_endo -69.72 -38.5 7.79 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.248 . . . . 0.0 112.375 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -43.99 -49.41 8.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -116.83 109.23 43.4 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.569 0.7 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 164.72 33.53 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.674 2.249 . . . . 0.0 112.327 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.821 ' HB2' ' HG3' ' A' ' 131' ' ' GLU . . . -63.12 -32.61 74.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -66.59 -40.21 94.08 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.79 -29.62 66.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.75 0.31 . . . . 0.0 111.109 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 82.9 mt -73.63 -71.13 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.156 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.931 HG21 HG23 ' A' ' 93' ' ' THR . 2.3 m -43.9 -49.13 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 86.3 m -51.73 -66.49 0.38 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.195 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' PHE . . . . . 0.416 ' CD2' HG11 ' A' ' 63' ' ' VAL . 12.6 t80 -39.56 -48.25 2.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.721 HD12 ' HA ' ' A' ' 142' ' ' VAL . 27.0 mt -54.52 -64.56 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.593 ' HA ' HD13 ' A' ' 150' ' ' LEU . 45.1 p -53.67 -17.51 2.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.167 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -86.93 -43.55 12.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 42.9 t -94.84 -65.89 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.706 HD13 HG23 ' A' ' 85' ' ' VAL . 4.4 mm? -46.43 -46.75 18.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.95 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.593 HD13 ' HA ' ' A' ' 146' ' ' THR . 5.0 mp -90.13 -8.41 51.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 153' ' ' ARG . . . -70.03 -48.78 38.1 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.511 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 39.73 26.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.819 0.342 . . . . 0.0 110.912 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 151' ' ' GLY . 20.7 mmt180 -67.72 -174.76 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.94 134.95 55.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 43.0 t -175.47 132.13 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.843 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 91.24 92.59 1.33 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.89 170.59 16.37 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.704 2.269 . . . . 0.0 112.307 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 8.0 m -79.81 89.22 5.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 57.3 p -166.48 138.08 3.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.533 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.7 p 39.6 43.21 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.854 0.359 . . . . 0.0 110.83 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 t -156.52 111.01 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.95 169.89 13.68 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 t -168.91 140.68 2.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.897 0.38 . . . . 0.0 110.829 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -59.7 -57.52 12.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.9 35.82 92.36 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.497 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.2 mtt 42.37 35.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.766 0.317 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -131.1 139.71 49.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -159.87 166.94 29.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.438 ' HA ' HD13 ' A' ' 14' ' ' LEU . . . -62.23 -24.91 67.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -43.6 -34.97 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.088 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -89.29 -48.18 7.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 11' ' ' ALA . 6.9 mp -42.73 -35.08 1.03 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.8 mt -79.41 -47.09 16.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.8 mtt-85 -52.93 -28.43 23.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -72.26 -67.81 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.36 131.26 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.18 122.68 41.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.788 0.328 . . . . 0.0 111.093 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.2 126.32 18.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.2 m -161.16 175.71 12.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.7 m -90.34 126.64 35.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.8 m -111.15 177.01 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.675 ' C ' HD13 ' A' ' 24' ' ' LEU . 2.0 tm? -106.14 114.1 28.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.537 ' N ' HD13 ' A' ' 24' ' ' LEU . 17.6 t80 -80.38 108.21 13.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.555 HD12 ' HG ' ' A' ' 128' ' ' LEU . 36.4 mt -78.47 -70.7 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.4 t -174.49 165.45 3.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.0 p -129.12 131.2 47.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.7 t -119.87 151.56 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.068 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -71.78 126.86 30.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.902 HG21 ' HB1' ' A' ' 39' ' ' ALA . 34.7 p -122.29 38.51 4.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.156 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 31' ' ' THR . 3.4 pt-20 -36.92 -60.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.46 -18.68 26.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.698 HD13 ' HB3' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -79.98 141.82 35.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.9 t -161.03 173.3 15.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.84 -144.23 46.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.483 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -7.66 21.61 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.711 2.274 . . . . 0.0 112.321 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.698 ' HB3' HD13 ' A' ' 34' ' ' LEU . 34.4 mt-30 -79.47 -59.37 2.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.902 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -45.01 -33.14 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.2 t -78.88 -29.94 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.499 ' HB2' ' HG3' ' A' ' 95' ' ' PRO . . . -80.86 -17.14 51.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 -80.88 -62.9 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.528 ' HB2' ' SG ' ' A' ' 126' ' ' CYS . . . -44.14 -47.45 9.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.6 m -51.89 -41.23 61.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.4 m -66.49 -42.93 86.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.55 -14.12 60.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.082 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.11 -31.29 27.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.2 mt -94.22 -40.32 10.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 50' ' ' CYS . 29.1 t -65.51 -51.96 56.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 49' ' ' SER . 2.8 t -35.49 151.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.487 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 1.7 t -162.1 126.63 2.03 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.661 0.743 . . . . 0.0 110.877 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 51' ' ' SER . 54.1 Cg_endo -69.75 142.37 69.86 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.715 -1.785 . . . . 0.0 112.337 -0.025 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -42.5 151.62 0.37 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.63 0.729 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 145.64 57.91 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.629 2.22 . . . . 0.0 112.37 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.3 m -90.71 111.18 46.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.591 0.71 . . . . 0.0 111.131 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.491 ' CB ' HD11 ' A' ' 24' ' ' LEU . 53.9 Cg_endo -69.76 170.68 16.0 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.677 2.251 . . . . 0.0 112.332 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.47 153.18 33.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.5 m -81.11 133.35 29.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.437 HG11 ' CE1' ' A' ' 78' ' ' PHE . 35.7 m -143.55 -176.35 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.196 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 -100.45 156.87 17.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.406 ' CE2' HG23 ' A' ' 141' ' ' ILE . 35.4 t80 -145.15 115.9 7.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -123.78 138.87 54.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 64.1 t -117.62 101.85 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 m -125.65 -179.47 4.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.89 -22.81 52.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.08 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -75.85 -16.21 60.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.421 ' HA2' HD11 ' A' ' 149' ' ' LEU . . . 134.59 -140.72 11.99 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.478 HG12 ' CD1' ' A' ' 88' ' ' ILE . 9.2 mm -118.08 130.44 72.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.863 0.363 . . . . 0.0 111.136 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.3 m -119.01 118.38 31.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.19 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -113.92 150.31 33.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.429 HG22 ' N ' ' A' ' 72' ' ' ASP . 45.1 m -145.53 155.41 43.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.429 ' N ' HG22 ' A' ' 71' ' ' THR . 36.2 t0 -138.97 145.08 39.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -96.57 -38.16 10.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 75' ' ' ARG . 53.1 mm-40 -83.51 1.37 42.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 74' ' ' GLN . 55.6 mtt180 34.61 40.69 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.5 mmtm -62.17 -65.83 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.433 HD22 ' N ' ' A' ' 77' ' ' LEU . 3.2 mm? -96.92 -51.85 4.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.437 ' CE1' HG11 ' A' ' 59' ' ' VAL . 42.6 p90 -132.16 148.75 52.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -93.05 -68.93 0.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -132.81 120.13 21.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -132.1 147.43 52.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -157.91 123.23 4.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -113.02 147.16 36.66 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.685 0.755 . . . . 0.0 110.943 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -173.65 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.313 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.841 HG23 HD13 ' A' ' 149' ' ' LEU . 12.8 p -96.39 -12.36 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -83.89 -18.57 37.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.428 ' O ' HG23 ' A' ' 89' ' ' THR . 53.6 p -77.29 -59.61 2.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.478 ' CD1' HG12 ' A' ' 68' ' ' ILE . 22.1 mt -56.59 129.4 18.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.428 HG23 ' O ' ' A' ' 87' ' ' SER . 52.7 p -126.82 -28.86 2.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -133.9 150.59 51.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.8 t -172.35 115.08 0.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.842 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.9 t -168.32 147.18 4.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.761 HG23 HG21 ' A' ' 142' ' ' VAL . 3.5 p -40.24 161.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.469 ' OD2' ' N ' ' A' ' 97' ' ' ASP . 15.6 t70 -58.19 133.92 84.46 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.665 0.745 . . . . 0.0 110.822 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.499 ' HG3' ' HB2' ' A' ' 41' ' ' ALA . 53.5 Cg_endo -69.82 -32.35 18.49 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.317 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 43.8 mm-40 -81.67 -11.23 59.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.469 ' N ' ' OD2' ' A' ' 94' ' ' ASP . 1.3 m-20 54.76 28.42 10.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -72.93 153.14 41.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -104.9 160.81 14.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 52.0 t-105 -124.3 120.71 32.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 60.7 m -80.57 94.88 6.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.108 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -46.75 159.49 0.37 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.657 0.742 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -4.94 15.07 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.659 2.24 . . . . 0.0 112.299 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -89.11 -33.19 17.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 122.91 52.27 0.21 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.475 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.0 t -163.9 151.58 12.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.359 . . . . 0.0 111.143 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 39.9 p -89.54 152.38 21.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.7 p -143.35 152.09 41.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.44 ' HD3' ' N ' ' A' ' 110' ' ' ILE . 5.0 tmtm? -70.4 132.41 45.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.44 ' N ' ' HD3' ' A' ' 109' ' ' LYS . 96.5 mt -91.21 140.19 16.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.686 ' CD1' ' HB1' ' A' ' 138' ' ' ALA . 3.9 p90 -161.47 164.56 29.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 177.06 -169.79 42.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.541 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -153.92 158.26 40.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.916 0.388 . . . . 0.0 110.871 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.0 t -102.46 126.14 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -131.73 148.56 52.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.107 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -78.44 136.75 37.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.47 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 64.3 tttt -56.88 139.79 77.4 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.606 0.717 . . . . 0.0 110.858 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 54.3 Cg_endo -69.76 -19.08 36.61 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.734 2.29 . . . . 0.0 112.355 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -110.59 -23.94 5.77 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.506 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.505 ' HB3' ' CG ' ' A' ' 123' ' ' GLU . 62.5 m -121.26 81.54 37.49 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.671 0.748 . . . . 0.0 110.875 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.46 ' HD2' ' CZ3' ' A' ' 122' ' ' TRP . 53.0 Cg_endo -69.84 -1.98 9.46 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.688 2.259 . . . . 0.0 112.313 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.509 ' CD1' ' HG2' ' A' ' 123' ' ' GLU . 36.1 p90 -91.39 -17.21 26.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.509 ' HG2' ' CD1' ' A' ' 122' ' ' TRP . 0.8 OUTLIER -122.6 179.05 4.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -136.42 153.93 50.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.4 t -140.04 140.82 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.528 ' SG ' ' HB2' ' A' ' 43' ' ' ALA . 26.0 p -102.55 158.01 16.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -133.94 101.47 5.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.573 ' O ' ' CD1' ' A' ' 129' ' ' PHE . 10.9 tp -71.79 151.8 43.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 128' ' ' LEU . 27.0 m-85 -153.97 165.45 36.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -135.32 139.75 44.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.503 ' HB3' ' HB2' ' A' ' 138' ' ' ALA . 2.1 pp20? -54.02 108.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 9.5 tt -79.06 -51.68 9.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -88.42 128.12 54.28 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.58 0.705 . . . . 0.0 110.833 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -35.63 12.1 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.653 2.235 . . . . 0.0 112.337 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -55.25 -28.56 54.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.461 ' O ' ' CG ' ' A' ' 136' ' ' GLN . 8.2 pt20 -129.46 118.49 19.05 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.634 0.73 . . . . 0.0 110.882 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 149.41 66.65 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.648 2.232 . . . . 0.0 112.321 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.686 ' HB1' ' CD1' ' A' ' 111' ' ' PHE . . . -47.64 -28.06 2.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.123 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -66.89 -39.24 93.35 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -59.29 -14.28 10.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.748 0.309 . . . . 0.0 111.106 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.406 HG23 ' CE2' ' A' ' 61' ' ' PHE . 89.8 mt -89.15 -55.15 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.85 ' HA ' HD12 ' A' ' 145' ' ' ILE . 2.6 m -62.53 -32.98 57.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 54.6 m -61.23 -49.11 78.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.186 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -60.95 -34.14 74.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.85 HD12 ' HA ' ' A' ' 142' ' ' VAL . 64.5 mt -61.37 -66.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 54.0 p -52.85 -28.11 21.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -71.49 -42.67 67.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 33.2 t -93.64 -60.57 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.841 HD13 HG23 ' A' ' 85' ' ' VAL . 1.1 mm? -53.05 -65.83 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 6.2 mp -75.01 4.98 5.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -120.89 91.47 0.48 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.427 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -117.11 107.37 14.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.731 0.3 . . . . 0.0 110.953 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 66.27 36.34 5.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 17.3 tptp -134.17 109.74 9.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 52.3 m -91.47 164.23 13.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.835 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -171.03 -176.43 40.22 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.51 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 126.27 13.1 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.652 2.235 . . . . 0.0 112.326 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 4.7 m -132.93 -55.54 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 25.4 m -133.28 138.64 46.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.501 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t 70.84 42.24 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 0.0 110.838 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.5 p -144.6 132.42 21.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.38 52.89 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.9 t -79.0 90.92 4.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.882 0.372 . . . . 0.0 110.887 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 t -101.63 124.0 46.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.42 -67.65 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.467 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -119.69 155.86 31.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.771 0.319 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.0 t -112.44 -60.16 1.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 11' ' ' ALA . 58.8 p 37.09 45.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.548 ' HA ' HD23 ' A' ' 14' ' ' LEU . . . -35.03 -38.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.108 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.537 ' HA ' HD12 ' A' ' 15' ' ' LEU . . . -51.92 -54.58 27.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -41.88 -63.27 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.811 ' H ' HD22 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -52.32 -59.06 4.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.959 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 12' ' ' ALA . 84.1 mt -36.14 -53.02 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -48.18 -47.03 35.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 14' ' ' LEU . 11.9 mm100 -74.8 -62.91 1.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.36 145.33 0.39 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.451 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.22 122.07 36.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.821 0.343 . . . . 0.0 111.077 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.94 125.88 25.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.414 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 29.7 p -156.45 168.43 27.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.3 m -85.15 131.83 34.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.2 m -113.92 173.38 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.119 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.644 ' C ' HD13 ' A' ' 24' ' ' LEU . 1.5 tm? -105.29 109.75 21.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.487 ' N ' HD13 ' A' ' 24' ' ' LEU . 39.4 t80 -80.95 110.56 16.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.708 HD12 ' HG ' ' A' ' 128' ' ' LEU . 74.1 mt -80.07 -70.9 0.48 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.2 t -175.05 142.89 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 t -101.93 116.99 33.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.4 t -101.42 138.63 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.13 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -64.07 119.48 10.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.867 HG21 ' HB1' ' A' ' 39' ' ' ALA . 56.1 p -115.79 42.51 2.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.134 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -51.81 -47.02 64.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.3 t -87.93 -26.44 22.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.833 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mt -87.35 164.92 15.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.8 t -175.1 164.02 3.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.02 -133.27 36.86 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.481 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -46.14 1.33 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.661 2.241 . . . . 0.0 112.318 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 41' ' ' ALA . 1.0 OUTLIER -46.09 -66.41 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.917 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.867 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -36.19 -45.63 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.2 t -59.31 -41.35 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 38' ' ' GLN . . . -66.14 -47.9 72.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.5 ttt85 -48.68 -55.51 11.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.827 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.405 ' HB2' ' SG ' ' A' ' 126' ' ' CYS . . . -45.45 -56.09 5.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 p -61.16 -59.37 5.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -43.09 -39.66 2.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.0 -36.63 59.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.111 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.21 -36.93 66.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.626 ' N ' HD12 ' A' ' 48' ' ' LEU . 3.8 mp -95.72 -36.56 11.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 49.9 m -63.99 -53.23 53.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -73.85 146.8 43.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.533 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 21.7 p -147.73 153.95 43.54 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.678 0.751 . . . . 0.0 110.867 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.2 Cg_endo -69.71 162.9 83.04 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.344 -0.077 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.3 mtt85 -59.42 141.67 87.58 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.543 0.687 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 156.31 63.71 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.663 2.242 . . . . 0.0 112.358 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 48.2 m -94.46 112.69 58.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.595 0.712 . . . . 0.0 111.135 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.581 ' CB ' HD11 ' A' ' 24' ' ' LEU . 53.6 Cg_endo -69.75 166.22 28.33 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.711 2.274 . . . . 0.0 112.306 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -137.41 144.88 42.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 75.6 t -82.1 125.35 39.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.416 HG12 ' CG ' ' A' ' 72' ' ' ASP . 10.5 m -141.75 159.33 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -77.5 169.17 18.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.414 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 6.3 t80 -144.18 134.93 25.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.7 tptt -145.71 136.47 24.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.7 t -124.1 116.82 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.2 m -141.27 -175.83 4.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.7 -44.3 97.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.065 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -59.41 -20.29 53.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 133.12 -125.52 4.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.462 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 95.2 mt -130.51 137.58 55.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.914 0.388 . . . . 0.0 111.107 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.8 m -116.1 142.09 47.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.4 mt -139.06 147.49 42.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.1 m -145.28 117.24 8.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.416 ' CG ' HG12 ' A' ' 59' ' ' VAL . 29.6 t0 -110.94 137.91 47.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -80.83 -52.47 7.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 76' ' ' LYS . 23.2 mm-40 -73.53 -22.82 59.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 74' ' ' GLN . 43.2 ptt85 36.05 33.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 74' ' ' GLN . 28.4 mttm -56.23 -37.68 70.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -102.13 -38.88 7.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -166.63 154.58 9.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.59 ' CD2' ' HG3' ' A' ' 80' ' ' ARG . 32.7 t80 -101.73 169.55 8.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.84 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.59 ' HG3' ' CD2' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -34.53 134.4 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -144.86 124.81 13.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -100.81 120.07 39.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -108.43 141.39 23.13 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.715 0.769 . . . . 0.0 110.92 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 156.26 63.89 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.779 HG23 ' CD1' ' A' ' 149' ' ' LEU . 12.1 p -61.63 -26.93 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.172 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 87' ' ' SER . 2.4 t30 -63.91 -63.4 1.17 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 86' ' ' ASN . 59.7 m -36.55 -52.2 0.86 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.1 mt -62.94 93.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 70.5 p -102.19 -42.38 6.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -128.59 139.38 52.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.9 t -160.22 105.84 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.832 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.9 t -155.97 153.64 29.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.819 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.698 HG23 HG21 ' A' ' 142' ' ' VAL . 12.9 p -46.04 165.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.13 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -67.73 139.45 93.71 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.595 0.712 . . . . 0.0 110.874 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -29.57 23.34 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.626 2.217 . . . . 0.0 112.366 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -75.92 -24.82 55.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 42.0 t0 56.33 44.7 24.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -89.29 170.98 10.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.7 mmt85 -111.22 136.06 50.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.462 ' CD1' HD21 ' A' ' 26' ' ' LEU . 41.6 t-105 -98.48 104.55 16.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.8 m -70.36 95.77 1.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.16 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 -47.16 161.22 0.31 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.609 0.719 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 2.56 3.44 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.357 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -102.14 -29.53 11.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 122.76 18.18 3.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.516 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.7 p -115.4 155.89 26.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.909 0.385 . . . . 0.0 111.103 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 32.8 p -106.26 155.0 19.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.4 m -152.24 175.21 12.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -89.32 138.74 31.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 86.0 mt -95.58 132.32 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.42 ' O ' ' N ' ' A' ' 129' ' ' PHE . 4.5 p90 -154.54 168.36 26.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 168.62 157.27 11.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -114.04 168.91 9.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 17.0 t -118.38 117.48 54.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.56 149.09 43.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -73.07 153.7 40.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 46.1 tttt -73.75 133.75 79.25 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.528 0.68 . . . . 0.0 110.918 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -16.36 37.38 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.653 2.235 . . . . 0.0 112.359 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -104.0 -20.94 9.96 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.472 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.408 ' HA ' ' HD2' ' A' ' 121' ' ' PRO . 3.3 m -138.16 106.34 7.98 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 0.0 110.822 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 120' ' ' SER . 53.1 Cg_endo -69.82 -5.24 15.77 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.29 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.531 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 29.5 p90 -110.96 17.08 20.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.531 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 35.4 mt-10 -139.22 115.66 10.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.28 146.73 23.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 95.4 t -134.26 125.8 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.405 ' SG ' ' HB2' ' A' ' 43' ' ' ALA . 20.7 p -93.82 142.92 26.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -115.29 103.48 10.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.708 ' HG ' HD12 ' A' ' 26' ' ' LEU . 9.3 tp -67.89 152.61 45.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.42 ' N ' ' O ' ' A' ' 111' ' ' PHE . 36.7 m-85 -158.36 174.26 15.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -155.08 139.16 16.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.413 ' O ' ' CD ' ' A' ' 131' ' ' GLU . 2.2 pp20? -52.28 117.83 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.9 tt -91.52 -58.77 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -86.69 130.84 47.39 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.624 0.725 . . . . 0.0 110.852 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -12.25 32.59 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.36 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 136' ' ' GLN . 5.5 p-10 -73.8 -21.29 60.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.476 ' N ' ' OD1' ' A' ' 135' ' ' ASP . 21.5 mm-40 -140.81 104.92 6.28 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.589 0.709 . . . . 0.0 110.941 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 136' ' ' GLN . 54.0 Cg_endo -69.69 144.1 53.32 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.66 2.24 . . . . 0.0 112.408 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -39.4 -49.48 2.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.1 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -45.69 -58.55 5.34 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.468 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -45.79 -39.01 7.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 67.3 mt -67.59 -69.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.698 HG21 HG23 ' A' ' 93' ' ' THR . 3.4 m -43.61 -46.23 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 30.6 m -59.35 -51.5 69.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.162 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -53.7 -36.82 62.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 92.0 mt -62.82 -73.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.091 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.563 HG22 HD13 ' A' ' 150' ' ' LEU . 73.1 p -49.05 -32.38 9.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -55.2 -50.93 68.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.799 HG13 HD22 ' A' ' 149' ' ' LEU . 9.1 p -94.96 -53.2 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.799 HD22 HG13 ' A' ' 148' ' ' VAL . 3.9 mm? -51.72 -70.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.563 HD13 HG22 ' A' ' 146' ' ' THR . 6.7 mp -63.79 -42.39 97.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 47.79 92.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.471 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -44.85 -60.48 2.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.783 0.325 . . . . 0.0 110.934 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 17.3 mtm180 -41.99 -53.27 3.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -48.18 118.98 2.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 43.1 m -109.56 96.18 6.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 46.11 77.68 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.515 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 158' ' ' SER . 53.3 Cg_endo -69.81 -17.41 37.35 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.681 2.254 . . . . 0.0 112.34 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 158' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 157' ' ' PRO . 47.4 t 37.09 42.17 0.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 32.7 t -123.35 129.74 51.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.945 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 m 44.2 42.35 4.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.376 . . . . 0.0 110.893 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.2 p -111.38 171.68 7.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.57 80.18 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.543 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -106.33 138.0 43.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.9 p -154.43 122.11 5.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.55 157.41 15.54 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.445 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -174.56 172.47 3.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.803 0.335 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 m -97.47 165.97 11.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.424 HG22 ' H ' ' A' ' 10' ' ' THR . 0.4 OUTLIER -68.98 138.7 54.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.25 -27.77 48.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -42.52 -51.01 5.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.05 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 14' ' ' LEU . 52.3 t0 -70.78 -61.55 1.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.483 HD23 ' H ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -36.36 -41.92 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 mt -57.33 -64.52 0.86 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -32.28 58.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.474 ' HG2' ' N ' ' A' ' 18' ' ' GLY . 52.9 tt0 -64.91 163.51 14.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.474 ' N ' ' HG2' ' A' ' 17' ' ' GLN . . . -159.96 132.56 3.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.473 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.01 120.03 37.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.04 120.9 18.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.1 t -159.54 177.33 11.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.429 ' O ' HD22 ' A' ' 132' ' ' LEU . 35.0 m -88.34 129.16 35.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.2 m -115.06 179.45 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.685 HD12 ' HB3' ' A' ' 130' ' ' ALA . 3.5 tm? -111.69 123.91 51.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -95.11 116.64 28.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.441 HD22 ' CD2' ' A' ' 100' ' ' TRP . 19.9 mt -85.91 -71.11 0.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.3 t -174.19 150.77 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.2 p -115.15 114.39 25.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.9 t -98.98 123.87 51.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.185 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -53.0 129.15 29.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.934 HG21 ' HB1' ' A' ' 39' ' ' ALA . 16.1 p -119.53 36.32 4.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.094 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 31' ' ' THR . 12.2 pt-20 -35.66 -49.71 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.5 t -93.71 -27.57 16.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -76.69 139.97 40.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.4 p -151.15 166.53 30.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.79 -154.11 52.99 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.513 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -9.98 27.42 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.692 2.262 . . . . 0.0 112.319 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -79.07 -36.15 41.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.934 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -64.73 -26.16 68.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.075 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.601 HG12 ' OD1' ' A' ' 94' ' ' ASP . 57.5 t -79.2 -40.88 22.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.13 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.66 -49.04 76.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.093 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -46.89 -60.14 2.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.36 -53.61 2.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.075 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m -45.77 -63.67 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.86 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 m -47.03 -43.36 19.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.79 -28.04 68.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.084 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.86 -54.62 17.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.072 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.493 ' N ' HD12 ' A' ' 48' ' ' LEU . 6.4 mp -75.17 -32.11 61.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.923 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.9 t -64.89 -39.06 92.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 23.6 t -60.5 139.14 57.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.513 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 3.1 m -146.82 128.74 7.53 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.696 0.76 . . . . 0.0 110.887 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.6 Cg_endo -69.78 143.5 74.08 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.36 0.042 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 52' ' ' PRO . 23.3 ptt85 -34.45 151.08 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.562 0.696 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 149.9 67.37 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.311 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 37.4 m -95.04 104.96 16.54 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.613 0.721 . . . . 0.0 111.158 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 173.27 11.2 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.367 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.84 156.54 42.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.459 HG12 ' CD1' ' A' ' 132' ' ' LEU . 1.2 m -91.14 129.0 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.7 m -144.27 152.22 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -75.67 148.15 38.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -136.01 143.4 44.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -145.46 150.41 36.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.7 t -119.97 115.49 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.7 m -134.64 171.37 14.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.32 -33.19 75.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.142 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -66.8 -11.42 55.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 131.68 -126.92 4.85 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.476 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.5 mt -130.22 130.11 65.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.917 0.389 . . . . 0.0 111.132 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.5 m -111.26 136.63 50.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 55.6 mt -128.05 141.81 51.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 32.2 m -134.05 125.56 28.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -115.5 134.04 55.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -99.57 -30.67 12.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.424 ' O ' ' C ' ' A' ' 75' ' ' ARG . 37.1 mm-40 -78.74 -4.75 50.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 74' ' ' GLN . 68.6 mtp180 35.03 39.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -79.02 -50.39 11.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -98.39 -43.52 6.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -168.63 120.71 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -45.46 -69.13 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.848 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -143.67 156.75 44.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -163.96 130.93 3.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.845 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 37.6 t-80 -114.45 138.66 50.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -124.04 143.2 41.78 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.715 0.769 . . . . 0.0 110.911 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 172.2 13.12 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.713 2.275 . . . . 0.0 112.298 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.808 HG23 HD13 ' A' ' 149' ' ' LEU . 12.6 p -87.75 -21.09 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -74.11 -37.18 64.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.483 ' O ' HG23 ' A' ' 89' ' ' THR . 74.5 p -57.47 -51.6 68.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 50.6 mt -61.3 97.78 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.19 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 87' ' ' SER . 71.9 p -101.7 -10.04 20.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -157.54 147.68 20.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.518 ' O ' HG22 ' A' ' 146' ' ' THR . 4.8 t -172.8 110.12 0.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.85 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.1 t -161.16 146.61 14.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.821 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.643 HG23 HG21 ' A' ' 142' ' ' VAL . 0.8 OUTLIER -41.42 151.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.113 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.601 ' OD1' HG12 ' A' ' 40' ' ' VAL . 8.5 t70 -60.13 132.92 90.14 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.593 0.711 . . . . 0.0 110.845 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -43.78 2.46 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.678 2.252 . . . . 0.0 112.369 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -50.58 -19.95 1.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.2 t70 54.27 30.84 13.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -78.43 159.74 28.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 58.1 mmt-85 -107.73 153.19 23.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.441 ' CD2' HD22 ' A' ' 26' ' ' LEU . 64.1 t-105 -113.27 111.2 21.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.8 m -77.91 94.21 4.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.161 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -48.19 157.87 0.63 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.683 0.754 . . . . 0.0 110.835 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -2.82 10.83 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.711 2.274 . . . . 0.0 112.314 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -94.2 -39.02 10.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.873 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 129.81 45.32 0.17 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.522 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.7 p -146.55 152.45 38.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 111.15 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 72.4 p -102.8 150.78 23.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.3 m -151.47 166.03 32.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -83.24 151.32 25.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 62.9 mt -106.23 138.97 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.157 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 129' ' ' PHE . 7.1 p90 -156.28 164.62 38.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -179.25 -161.21 26.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.48 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 1.5 p90 -154.97 164.05 39.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 110.864 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 1.7 t -114.65 127.18 72.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.123 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -143.06 152.13 41.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 19.2 mttm -64.96 125.36 24.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.476 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 10.7 ttmm -40.99 139.98 1.15 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.579 0.704 . . . . 0.0 110.907 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 54.0 Cg_endo -69.78 -15.83 37.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.7 2.267 . . . . 0.0 112.358 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -107.01 -13.94 20.26 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.495 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.437 ' HA ' ' HD2' ' A' ' 121' ' ' PRO . 6.6 m -149.11 105.05 3.36 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.698 0.761 . . . . 0.0 110.806 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 120' ' ' SER . 53.4 Cg_endo -69.83 -21.4 33.24 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.294 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.513 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 33.0 p90 -84.31 18.75 2.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.934 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.513 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 36.2 mt-10 -141.24 169.81 16.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -137.73 143.55 41.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 2.4 p -150.62 112.21 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.126 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.451 ' SG ' HG22 ' A' ' 40' ' ' VAL . 48.9 t -82.61 138.69 34.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -106.1 109.12 20.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.3 tp -70.39 148.11 48.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.955 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' A' ' 111' ' ' PHE . 15.6 m-85 -147.24 173.08 12.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.685 ' HB3' HD12 ' A' ' 24' ' ' LEU . . . -145.58 156.1 43.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -64.93 129.11 38.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.459 ' CD1' HG12 ' A' ' 58' ' ' VAL . 8.3 tt -107.71 -45.09 4.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.68 141.54 26.88 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.616 0.722 . . . . 0.0 110.854 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -50.88 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.725 2.283 . . . . 0.0 112.379 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -42.59 -32.35 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -130.85 90.49 39.73 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.587 0.708 . . . . 0.0 110.858 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 177.54 5.47 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.696 2.264 . . . . 0.0 112.314 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.83 -48.84 51.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -51.83 -32.31 33.2 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -68.19 -26.99 66.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.723 0.296 . . . . 0.0 111.086 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 142' ' ' VAL . 58.1 mt -82.74 -73.62 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.169 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.643 HG21 HG23 ' A' ' 93' ' ' THR . 9.9 m -37.6 -40.14 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 5.8 m -56.25 -70.39 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' PHE . . . . . 0.683 ' CE1' HG21 ' A' ' 148' ' ' VAL . 11.7 t80 -42.96 -36.01 1.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 54.5 mt -63.6 -67.26 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.631 HG23 ' O ' ' A' ' 142' ' ' VAL . 6.1 p -51.65 -30.5 21.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -71.01 -48.52 52.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.683 HG21 ' CE1' ' A' ' 144' ' ' PHE . 67.4 t -88.46 -69.37 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.808 HD13 HG23 ' A' ' 85' ' ' VAL . 2.2 mm? -44.23 -64.37 0.69 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 146' ' ' THR . 12.1 mt -81.67 43.08 0.73 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -177.69 108.67 0.26 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 64.89 47.49 2.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.786 0.327 . . . . 0.0 110.927 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' ARG . . . . . 0.474 ' H ' ' CD ' ' A' ' 153' ' ' ARG . 0.0 OUTLIER -57.28 161.09 3.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -128.87 82.76 2.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 2.4 t -38.54 -48.04 1.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 94.53 149.07 25.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.515 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 139.87 41.28 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.262 . . . . 0.0 112.345 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 57.8 p -65.26 157.12 29.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 33.7 t -106.52 92.71 4.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.505 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t -166.25 130.18 2.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.906 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 m -144.7 157.88 44.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.823 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.9 79.96 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.445 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.3 p -100.64 110.27 22.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.863 0.363 . . . . 0.0 110.868 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.2 m -143.44 137.89 28.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.24 -148.69 4.92 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.0 tpt -80.21 122.09 26.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.754 0.311 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.1 p -166.16 171.54 12.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.8 p -91.74 82.76 5.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.124 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.74 -49.01 64.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.132 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -42.46 -56.62 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -47.34 -44.93 24.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 14' ' ' LEU . 7.8 mt -62.83 -40.01 96.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.0 mt -67.57 -46.67 72.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -42.71 -40.33 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -52.27 -63.73 1.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.9 119.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.23 120.53 30.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.88 118.79 8.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.472 ' HB2' ' NE2' ' A' ' 136' ' ' GLN . 2.1 t -157.8 178.22 10.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 74.8 m -86.54 137.41 32.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.529 HG22 ' HB2' ' A' ' 61' ' ' PHE . 30.7 m -123.49 -177.05 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.177 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.649 ' C ' HD13 ' A' ' 24' ' ' LEU . 3.0 tm? -113.89 114.84 26.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.542 ' HA ' ' CD2' ' A' ' 129' ' ' PHE . 15.2 t80 -85.66 115.52 23.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.625 HD21 ' HB2' ' A' ' 130' ' ' ALA . 75.2 mt -82.17 -70.54 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.6 t -172.22 137.26 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.1 m -95.89 113.88 25.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.463 HG21 ' HA ' ' A' ' 43' ' ' ALA . 58.9 t -100.66 138.02 26.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.153 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -69.73 116.05 9.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.563 HG21 ' HB1' ' A' ' 39' ' ' ALA . 66.5 p -111.98 36.98 3.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.142 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 31' ' ' THR . 5.1 pt-20 -35.46 -49.43 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -92.03 -41.04 10.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -65.54 136.95 57.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -156.58 161.99 39.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.92 -154.6 43.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.494 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 53.3 Cg_endo -69.78 -1.86 9.21 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.301 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -88.94 -45.9 9.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.563 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -49.92 -46.02 51.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.0 t -53.0 -39.71 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.88 -57.99 8.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.2 ttt85 -39.85 -58.8 1.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.463 ' HA ' HG21 ' A' ' 29' ' ' VAL . . . -52.42 -45.01 65.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.075 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.614 ' OG ' HD11 ' A' ' 128' ' ' LEU . 3.3 m -66.78 -67.64 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.458 ' O ' ' CB ' ' A' ' 49' ' ' SER . 2.0 m -41.89 -36.15 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.61 -39.68 51.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.53 -34.7 59.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.087 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 mt -99.24 -36.69 9.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 45' ' ' SER . 30.8 t -63.87 -53.17 54.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -70.8 147.74 48.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.548 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 38.8 p -153.68 153.3 28.72 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.67 0.747 . . . . 0.0 110.859 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.1 Cg_endo -69.76 133.6 26.27 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.326 -0.022 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.2 ptp85 -41.78 148.88 0.43 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.621 0.724 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 171.71 14.02 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.708 2.272 . . . . 0.0 112.309 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 98.2 m -103.82 116.0 62.47 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.556 0.693 . . . . 0.0 111.162 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 -179.77 3.18 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.654 2.236 . . . . 0.0 112.322 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -157.55 152.17 25.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.427 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 90.4 t -91.39 114.67 29.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.7 m -127.03 174.16 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -93.08 141.12 28.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.529 ' HB2' HG22 ' A' ' 23' ' ' VAL . 14.2 t80 -122.74 138.81 54.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -150.1 150.42 31.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 71.7 t -136.21 118.16 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 67' ' ' GLY . 5.6 t -138.95 159.4 42.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -42.67 -25.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -84.63 23.32 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 64' ' ' SER . . . 92.04 -135.44 12.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.488 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.505 HD12 ' CE2' ' A' ' 113' ' ' PHE . 87.3 mt -119.63 146.25 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 111.152 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.8 m -130.39 120.07 23.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.197 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 35.4 mt -112.28 128.92 56.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.0 m -117.03 154.28 31.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 79' ' ' PHE . 10.0 t0 -138.12 148.98 45.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -111.34 -43.15 3.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.427 ' NE2' ' O ' ' A' ' 58' ' ' VAL . 0.8 OUTLIER -72.52 -10.75 60.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 74' ' ' GLN . 71.5 mtt180 36.32 47.28 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 47.3 mmtt -80.91 -41.37 23.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 mt -118.36 -38.57 3.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.439 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 26.8 p90 -158.8 139.25 12.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 72' ' ' ASP . 10.7 t80 -75.49 -73.17 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -142.34 126.86 17.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.853 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.4 mmt85 -121.76 125.96 47.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -116.35 128.4 55.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -118.82 141.4 29.99 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.668 0.747 . . . . 0.0 110.924 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 157.35 60.66 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.701 2.268 . . . . 0.0 112.318 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.522 HG23 HD13 ' A' ' 149' ' ' LEU . 1.5 p -61.34 -25.85 37.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.168 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -73.66 -45.06 54.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.5 m -45.52 -55.36 6.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.806 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 15.8 mt -63.06 112.04 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 76.5 p -100.85 -41.44 6.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 37' ' ' PRO . 39.9 t80 -133.02 157.38 45.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.1 t -153.23 112.44 3.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.409 ' C ' HG11 ' A' ' 142' ' ' VAL . 40.9 t -152.81 143.89 23.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.835 HG22 ' HB2' ' A' ' 111' ' ' PHE . 35.2 p -57.32 -79.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -150.15 120.46 3.86 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.587 0.708 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -22.69 31.78 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.716 2.277 . . . . 0.0 112.358 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -91.11 -31.42 16.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 30.2 t0 73.92 54.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.3 mmp_? -109.14 168.41 9.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -103.65 150.79 23.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.545 ' CE2' HD22 ' A' ' 26' ' ' LEU . 35.2 t-105 -102.83 109.58 21.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.2 m -78.49 91.5 4.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.178 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -49.86 157.24 1.09 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.611 0.72 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -7.42 21.0 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.679 2.253 . . . . 0.0 112.361 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -84.72 -34.56 22.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 123.98 39.04 0.51 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.536 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.0 t -143.7 161.45 38.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.841 0.353 . . . . 0.0 111.169 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.7 p -105.41 145.88 30.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 86.3 p -139.42 172.16 13.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -86.05 130.46 34.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 27.8 mt -85.98 137.36 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.835 ' HB2' HG22 ' A' ' 93' ' ' THR . 1.2 p90 -164.07 149.52 10.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -170.52 -170.67 35.08 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.505 ' CE2' HD12 ' A' ' 68' ' ' ILE . 4.0 p90 -147.55 172.48 13.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.902 0.382 . . . . 0.0 110.859 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.401 HG22 ' SG ' ' A' ' 126' ' ' CYS . 12.8 t -119.54 132.0 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.154 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -144.48 143.69 30.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -74.28 151.05 39.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.47 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 35.2 tttt -66.29 139.69 96.46 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.618 0.723 . . . . 0.0 110.864 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 54.1 Cg_endo -69.78 -8.42 23.56 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.716 2.278 . . . . 0.0 112.349 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -121.55 -29.01 1.5 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.432 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.3 m -118.65 84.15 23.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.606 0.717 . . . . 0.0 110.831 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -6.52 18.81 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.663 2.242 . . . . 0.0 112.33 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 3.3 p90 -88.85 0.84 56.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.698 ' OE1' HG23 ' A' ' 125' ' ' VAL . 0.0 OUTLIER -140.44 160.71 39.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -118.22 145.05 45.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.698 HG23 ' OE1' ' A' ' 123' ' ' GLU . 98.6 t -130.42 114.86 29.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.409 ' HB3' HG21 ' A' ' 31' ' ' THR . 41.7 t -94.02 137.0 33.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -112.0 135.89 52.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.614 HD11 ' OG ' ' A' ' 44' ' ' SER . 4.5 tp -100.45 146.93 26.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.542 ' CD2' ' HA ' ' A' ' 25' ' ' TYR . 35.9 m-85 -148.09 173.23 13.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.625 ' HB2' HD21 ' A' ' 26' ' ' LEU . . . -138.48 159.17 42.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.106 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.442 ' HG3' ' HB2' ' A' ' 138' ' ' ALA . 21.8 mt-10 -62.22 128.91 38.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.652 HD23 ' C ' ' A' ' 132' ' ' LEU . 6.6 tt -110.65 -52.4 2.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.416 ' CG ' ' CD2' ' A' ' 132' ' ' LEU . 56.6 m-20 -116.1 141.88 28.4 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.59 0.709 . . . . 0.0 110.851 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -41.94 3.77 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -41.07 -35.12 0.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.472 ' NE2' ' HB2' ' A' ' 21' ' ' CYS . 31.1 mt-30 -129.66 101.25 18.78 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.601 0.715 . . . . 0.0 110.958 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.512 ' HG2' ' HB2' ' A' ' 140' ' ' ALA . 53.5 Cg_endo -69.76 137.5 35.59 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.715 2.276 . . . . 0.0 112.324 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.759 ' HA ' HD12 ' A' ' 141' ' ' ILE . . . -39.99 -43.42 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -59.46 -53.09 49.06 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.528 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.512 ' HB2' ' HG2' ' A' ' 137' ' ' PRO . . . -48.66 -24.37 1.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.762 0.315 . . . . 0.0 111.072 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.759 HD12 ' HA ' ' A' ' 138' ' ' ALA . 33.7 mt -76.83 -73.55 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.801 HG21 HG23 ' A' ' 93' ' ' THR . 5.7 m -41.7 -53.02 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.515 ' H ' HG23 ' A' ' 142' ' ' VAL . 97.4 m -47.53 -67.58 0.26 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.179 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -40.96 -47.05 2.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 142' ' ' VAL . 68.2 mt -53.47 -59.82 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.154 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.594 ' HB ' HD12 ' A' ' 150' ' ' LEU . 74.2 p -53.45 -33.78 55.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -67.25 -39.38 86.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 32.2 t -94.47 -67.47 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.522 HD13 HG23 ' A' ' 85' ' ' VAL . 2.5 mm? -40.97 -70.64 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.594 HD12 ' HB ' ' A' ' 146' ' ' THR . 18.8 mt -64.81 -47.03 79.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.909 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 101.33 132.65 7.83 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.46 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.54 151.13 23.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.789 0.328 . . . . 0.0 110.857 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' ARG . . . . . 0.418 ' HD2' ' C ' ' A' ' 153' ' ' ARG . 0.0 OUTLIER -124.99 -10.75 7.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -55.31 108.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 10.0 p -47.16 165.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 150.3 98.46 0.18 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 141.82 46.2 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.683 2.255 . . . . 0.0 112.337 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 8.7 t -106.74 177.36 4.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 16.5 m -123.69 166.86 14.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.804 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 t -90.22 164.8 14.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 0.0 110.853 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.2 m -71.12 -51.59 24.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.836 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.5 79.33 0.14 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.489 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.1 p -134.59 163.2 30.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.907 0.384 . . . . 0.0 110.859 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.2 p -91.91 128.81 37.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.67 173.36 28.65 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.0 mmm -122.44 144.83 48.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.826 0.346 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.0 t -136.04 141.82 44.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.9 m -83.18 124.9 30.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.84 -53.78 54.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -46.35 -45.16 17.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.078 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.23 -39.74 94.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.447 HD11 ' CE ' ' A' ' 147' ' ' LYS . 7.8 mt -59.09 -51.03 71.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.509 ' CD2' ' HB2' ' A' ' 65' ' ' ALA . 14.3 mt -60.03 -61.87 2.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.488 ' CG ' ' N ' ' A' ' 17' ' ' GLN . 20.5 ptt85 -49.74 -47.78 50.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.488 ' N ' ' CG ' ' A' ' 16' ' ' ARG . 48.2 mm-40 -42.58 -50.01 5.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.87 117.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.85 121.86 37.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.354 . . . . 0.0 111.064 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.67 137.59 25.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.3 p -163.33 172.42 14.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -85.06 131.92 34.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.6 m -117.84 166.42 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.175 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.745 HD11 ' CB ' ' A' ' 56' ' ' PRO . 2.3 tm? -95.44 111.95 23.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.421 ' N ' HD13 ' A' ' 24' ' ' LEU . 15.5 t80 -77.28 99.24 5.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.523 HD11 ' HB2' ' A' ' 130' ' ' ALA . 66.6 mt -74.36 -71.33 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.5 t -174.66 174.19 2.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.5 t -139.88 122.19 15.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.9 t -105.62 135.54 43.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.177 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -66.96 121.02 14.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.736 HG21 ' HB1' ' A' ' 39' ' ' ALA . 29.4 p -114.22 39.4 2.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 31' ' ' THR . 8.5 pt-20 -35.11 -46.24 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.0 t -96.08 -36.25 11.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 31' ' ' THR . 2.1 mm? -71.23 145.3 49.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.1 t -165.05 163.43 20.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.56 -154.02 45.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.467 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 3.32 2.81 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.242 . . . . 0.0 112.365 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -98.02 -42.97 7.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.736 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -55.86 -41.25 74.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.2 t -63.62 -49.33 82.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.429 ' HB2' ' HG2' ' A' ' 95' ' ' PRO . . . -54.73 -26.73 35.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -73.63 -58.6 3.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.3 -44.35 23.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.458 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 31.3 m -58.45 -55.01 40.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.8 t -57.18 -54.08 50.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -44.44 -27.61 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 44' ' ' SER . . . -66.48 -55.6 14.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.058 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.546 ' H ' HD12 ' A' ' 48' ' ' LEU . 5.2 mp -70.67 -38.81 73.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.1 t -65.69 -49.8 67.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 50.7 t -64.29 138.07 58.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.553 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 33.0 p -150.29 144.68 17.73 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.619 0.724 . . . . 0.0 110.854 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.7 Cg_endo -69.81 130.15 16.14 Favored 'Cis proline' 0 C--N 1.341 0.143 0 C-N-CA 122.631 -1.82 . . . . 0.0 112.362 -0.021 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.463 ' N ' ' HA ' ' A' ' 51' ' ' SER . 9.3 ptp180 -34.55 145.26 0.18 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.628 0.727 . . . . 0.0 110.856 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 152.06 68.95 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.1 m -88.69 114.17 58.77 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.549 0.69 . . . . 0.0 111.131 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.745 ' CB ' HD11 ' A' ' 24' ' ' LEU . 54.0 Cg_endo -69.74 155.39 66.14 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.702 2.268 . . . . 0.0 112.357 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -136.96 152.83 50.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.1 m -84.17 138.36 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.0 m -144.41 -176.73 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 18.0 t-80 -105.41 149.09 26.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -132.89 136.61 46.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.3 tttt -148.34 133.83 18.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 40.7 t -122.95 118.22 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.4 t -139.25 175.27 9.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.83 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.509 ' HB2' ' CD2' ' A' ' 15' ' ' LEU . . . -54.88 -23.37 18.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.116 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -86.84 24.81 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.471 ' HA2' HD11 ' A' ' 149' ' ' LEU . . . 91.0 -125.32 7.94 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 71.4 mt -130.27 145.12 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.977 0.417 . . . . 0.0 111.078 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 m -131.15 115.46 16.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.6 mt -113.82 132.53 55.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 42.1 m -116.66 147.66 41.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.172 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.544 ' OD2' ' CZ ' ' A' ' 78' ' ' PHE . 3.2 m-20 -139.34 136.62 35.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -101.8 -35.44 9.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.701 ' NE2' ' H ' ' A' ' 76' ' ' LYS . 1.1 pp0? -50.27 -19.96 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 74' ' ' GLN . 67.5 mtm180 37.51 27.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.701 ' H ' ' NE2' ' A' ' 74' ' ' GLN . 27.5 mttt -92.51 -60.93 1.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 77' ' ' LEU . 2.1 mm? -79.64 -49.97 11.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.544 ' CZ ' ' OD2' ' A' ' 72' ' ' ASP . 33.3 p90 -155.77 153.15 29.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -80.98 -70.1 0.56 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -150.93 150.02 30.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.508 ' HB3' ' CE1' ' A' ' 83' ' ' TYR . 3.5 mmm180 -136.37 124.83 23.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -107.12 118.89 37.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.508 ' CE1' ' HB3' ' A' ' 81' ' ' ARG . 4.4 m-85 -110.97 113.69 54.68 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.64 0.733 . . . . 0.0 110.926 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 83' ' ' TYR . 53.5 Cg_endo -69.74 148.24 64.76 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.731 2.288 . . . . 0.0 112.366 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.873 HG23 HD13 ' A' ' 149' ' ' LEU . 9.8 p -51.71 -31.56 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 87' ' ' SER . 6.7 m-20 -67.26 -67.87 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 86' ' ' ASN . 99.0 p -34.89 -56.75 0.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.801 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 13.5 mt -57.91 106.29 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.8 t -114.85 -7.72 12.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.156 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -153.23 137.1 16.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.5 ' O ' ' CG2' ' A' ' 146' ' ' THR . 47.1 t -163.0 120.23 1.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.9 m -172.37 151.73 2.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.861 HG23 HG21 ' A' ' 142' ' ' VAL . 35.7 p -53.45 160.42 1.21 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.171 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.496 ' OD2' ' N ' ' A' ' 98' ' ' ARG . 36.8 p-10 -47.89 117.5 5.48 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.624 0.726 . . . . 0.0 110.852 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.429 ' HG2' ' HB2' ' A' ' 41' ' ' ALA . 54.0 Cg_endo -69.72 -8.44 23.6 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.727 2.284 . . . . 0.0 112.335 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -102.88 21.16 16.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.7 t70 37.29 47.89 0.74 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.496 ' N ' ' OD2' ' A' ' 94' ' ' ASP . 14.4 tpp180 -83.93 160.14 21.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 26.7 mmt85 -131.28 148.49 52.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.417 ' CD2' HD22 ' A' ' 26' ' ' LEU . 74.4 t-105 -111.23 103.65 12.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.4 m -66.28 111.37 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.126 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -68.38 158.99 83.13 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.635 0.731 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 0.72 5.24 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.68 2.253 . . . . 0.0 112.333 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -94.55 -39.26 10.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 128.68 42.44 0.24 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.2 p -145.59 170.7 15.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 111.205 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 77.1 p -114.12 144.08 43.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.107 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.5 m -129.13 169.67 14.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.459 ' HD2' ' HB3' ' A' ' 138' ' ' ALA . 19.9 ttmm -92.81 128.79 38.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 53.6 mt -93.25 136.04 26.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.081 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.503 ' HB3' ' HB1' ' A' ' 138' ' ' ALA . 10.9 p90 -145.55 160.8 41.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -178.25 149.97 9.47 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -112.33 158.54 19.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.916 0.389 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.9 t -104.54 107.49 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -120.58 153.03 37.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.075 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -78.72 150.63 32.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -73.77 137.65 76.83 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.593 0.711 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 0.6 5.4 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -122.27 -24.99 2.1 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.445 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.404 ' HA ' ' HD2' ' A' ' 121' ' ' PRO . 36.5 m -131.51 95.16 24.34 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.654 0.74 . . . . 0.0 110.906 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 120' ' ' SER . 54.1 Cg_endo -69.72 -19.47 36.27 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.665 2.243 . . . . 0.0 112.382 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.41 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 43.9 p90 -90.01 22.24 3.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.41 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 72.1 mt-10 -144.86 163.38 34.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -140.46 141.35 35.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.6 p -147.03 123.63 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 36.3 t -86.09 156.27 20.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -118.61 118.62 32.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.452 ' HG ' HD12 ' A' ' 26' ' ' LEU . 9.8 tp -80.1 145.57 32.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.48 ' HB3' ' CE1' ' A' ' 111' ' ' PHE . 43.4 m-85 -148.98 167.18 26.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.617 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -143.29 135.25 26.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.424 ' HB3' ' N ' ' A' ' 138' ' ' ALA . 0.1 OUTLIER -52.09 109.01 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.9 tt -75.25 -49.51 19.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -92.71 145.28 30.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.628 0.728 . . . . 0.0 110.886 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -45.37 1.58 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.704 2.269 . . . . 0.0 112.295 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.72 -35.51 79.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -107.12 84.38 1.64 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.625 0.726 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 170.13 17.27 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.65 2.233 . . . . 0.0 112.374 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.681 ' HA ' HD12 ' A' ' 141' ' ' ILE . . . -60.15 -43.1 96.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -54.03 -54.4 31.62 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -49.16 -29.17 5.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.681 HD12 ' HA ' ' A' ' 138' ' ' ALA . 47.9 mt -74.61 -72.38 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.861 HG21 HG23 ' A' ' 93' ' ' THR . 20.6 m -45.74 -45.88 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.476 ' N ' HG23 ' A' ' 142' ' ' VAL . 66.7 m -48.46 -60.89 2.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -51.27 -41.97 60.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 80.5 mt -58.97 -74.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.158 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 91' ' ' SER . 30.6 p -47.89 -35.44 10.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.447 ' CE ' HD11 ' A' ' 14' ' ' LEU . 5.6 mtpp -52.08 -50.28 61.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.639 HG13 ' N ' ' A' ' 149' ' ' LEU . 8.8 p -96.95 -53.65 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.083 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.873 HD13 HG23 ' A' ' 85' ' ' VAL . 4.0 mm? -51.9 -62.71 1.46 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 146' ' ' THR . 3.5 mm? -73.88 -30.55 62.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -89.51 79.28 1.57 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.466 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -98.81 124.02 43.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 21.3 mtm180 -108.54 -35.59 6.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 12.7 pttp -73.67 162.82 28.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 14.8 t -49.92 122.68 6.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -158.21 -157.82 8.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.469 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 158' ' ' SER . 53.8 Cg_endo -69.76 2.37 3.59 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.368 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 158' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 157' ' ' PRO . 16.4 m -34.8 131.61 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 8.7 t -117.05 135.1 53.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.46 179.979 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -68.19 119.82 13.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.909 0.385 . . . . 0.0 110.829 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.2 p -171.0 127.14 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.12 159.94 32.82 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.6 m -143.76 166.29 25.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 0.0 110.873 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -147.88 143.61 27.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.856 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.36 -134.78 3.35 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.448 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.1 mmt -77.87 172.5 13.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.764 0.316 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.6 p -102.21 85.65 2.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.9 m -91.94 -29.68 16.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.119 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.4 -26.38 63.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.113 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.51 -29.86 41.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.069 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -74.72 -25.27 59.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.7 mt -64.44 -47.31 79.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.739 HD23 ' HB2' ' A' ' 65' ' ' ALA . 7.1 mp -54.87 -45.71 74.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -48.6 -30.89 5.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -85.66 -55.63 3.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.38 144.97 2.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.468 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.38 124.97 33.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.777 0.322 . . . . 0.0 111.129 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.59 141.61 27.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.433 ' HB3' ' NE2' ' A' ' 136' ' ' GLN . 24.8 p -166.1 166.72 16.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.9 m -81.05 138.54 35.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.9 m -128.12 176.8 6.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.509 ' C ' HD13 ' A' ' 24' ' ' LEU . 3.4 tm? -107.04 116.11 31.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -82.3 108.72 15.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.55 HD21 ' CD1' ' A' ' 100' ' ' TRP . 66.8 mt -76.78 -71.47 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.7 t -173.52 162.68 4.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.9 p -125.7 136.63 53.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.5 t -121.87 146.81 26.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -71.47 116.49 11.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.522 HG21 ' HB1' ' A' ' 39' ' ' ALA . 18.5 p -117.29 37.36 3.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -40.11 -50.31 2.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.3 t -85.01 -49.32 8.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -58.75 137.5 57.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.937 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 79.4 p -147.42 173.44 12.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.54 -157.84 36.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 2.5 3.49 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.616 2.211 . . . . 0.0 112.367 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -84.11 -42.51 15.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.522 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -59.27 -42.79 92.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.0 t -54.52 -42.62 60.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.091 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.66 -36.3 83.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -57.94 -61.16 2.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -39.39 -63.05 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.3 m -47.49 -46.16 26.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.4 t -59.59 -34.18 72.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.71 -11.37 45.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.089 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.4 -30.81 23.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.072 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.9 mt -94.97 -27.48 15.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.0 t -79.42 -48.34 14.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 42.0 t -58.31 138.21 56.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.539 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 15.6 p -139.97 152.11 66.94 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.697 0.76 . . . . 0.0 110.842 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.5 Cg_endo -69.75 169.98 60.63 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.337 -0.067 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -46.29 145.11 2.85 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.578 0.704 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 159.43 53.48 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.689 2.259 . . . . 0.0 112.36 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.416 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 50.2 m -105.7 93.31 7.15 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.569 0.699 . . . . 0.0 111.104 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.465 ' HB2' HD11 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.8 159.46 53.28 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.692 2.261 . . . . 0.0 112.325 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -141.46 156.54 45.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.2 t -85.34 123.87 39.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.9 m -134.22 177.37 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.15 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -97.69 160.11 14.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -148.74 117.32 6.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 41.5 tttm -125.28 144.23 50.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.536 HG11 ' HD2' ' A' ' 144' ' ' PHE . 21.7 t -121.85 116.86 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 t -138.45 157.69 45.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.815 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.739 ' HB2' HD23 ' A' ' 15' ' ' LEU . . . -50.29 -21.07 1.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.095 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -89.18 19.57 4.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.923 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.56 ' HA2' HD11 ' A' ' 149' ' ' LEU . . . 97.07 -150.73 19.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.478 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 87.4 mt -109.0 143.07 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.949 0.404 . . . . 0.0 111.092 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.5 m -131.51 111.5 11.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.126 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.43 HD12 ' HE2' ' A' ' 83' ' ' TYR . 13.8 mt -99.99 152.5 20.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 22.6 m -140.53 122.35 15.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.162 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -105.4 146.92 28.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -116.88 -41.03 3.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -71.43 -16.45 62.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 33.0 mtt180 47.08 45.36 15.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -76.69 -35.23 58.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 mt -128.42 -50.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -140.66 140.27 34.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.43 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 1.8 t80 -75.65 -57.09 4.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -140.08 163.44 32.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -159.71 123.2 3.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -102.88 124.21 47.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.43 ' HE2' HD12 ' A' ' 70' ' ' LEU . 45.9 m-85 -121.23 95.7 48.47 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.701 0.763 . . . . 0.0 110.917 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 85' ' ' VAL . 53.4 Cg_endo -69.82 136.19 32.22 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.655 2.237 . . . . 0.0 112.311 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.657 HG23 HD13 ' A' ' 149' ' ' LEU . 9.7 p -33.89 -44.58 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.492 ' N ' HG13 ' A' ' 85' ' ' VAL . 76.4 m-20 -52.94 -55.89 20.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.5 m -50.01 -42.99 50.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.8 mt -80.57 124.9 38.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 62.2 p -116.85 -33.44 4.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.123 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -137.1 150.86 48.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.2 t -170.12 113.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.3 m -165.95 147.32 6.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.706 HG23 HG21 ' A' ' 142' ' ' VAL . 2.6 p -45.82 143.39 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.432 ' CG ' ' HD2' ' A' ' 95' ' ' PRO . 2.0 t70 -46.95 140.94 5.98 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.569 0.699 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.432 ' HD2' ' CG ' ' A' ' 94' ' ' ASP . 53.4 Cg_endo -69.77 -31.38 20.59 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.725 2.284 . . . . 0.0 112.324 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -76.17 -5.78 48.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 39.7 41.93 0.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -77.87 -178.38 5.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 78.5 mmt-85 -123.6 166.58 15.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.55 ' CD1' HD21 ' A' ' 26' ' ' LEU . 49.9 t-105 -126.5 110.43 13.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.0 m -75.55 91.23 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -49.18 154.38 1.42 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.608 0.718 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 0.63 5.39 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.641 2.228 . . . . 0.0 112.318 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -95.57 -36.05 11.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 125.73 54.91 0.16 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 11.6 t -162.9 156.81 20.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.843 0.354 . . . . 0.0 111.138 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 27.4 p -99.76 155.5 17.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 46.5 m -152.77 152.22 31.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -69.46 147.98 50.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 82.6 mt -108.07 131.9 57.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.134 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.463 ' O ' ' N ' ' A' ' 129' ' ' PHE . 6.8 p90 -151.08 158.97 44.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -169.4 -176.1 39.07 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.511 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.534 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 0.6 OUTLIER -143.47 168.7 19.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.913 0.387 . . . . 0.0 110.841 -179.868 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.4 t -121.53 123.52 69.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.106 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -134.82 161.14 36.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.086 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -80.4 140.25 36.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.472 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 7.7 ttmm -47.34 140.53 7.17 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.58 0.705 . . . . 0.0 110.905 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 53.6 Cg_endo -69.79 1.47 4.42 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.688 2.259 . . . . 0.0 112.351 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -137.41 3.63 3.3 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.434 ' HA ' ' HD2' ' A' ' 121' ' ' PRO . 43.0 m -158.25 105.0 1.69 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.628 0.728 . . . . 0.0 110.911 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 120' ' ' SER . 53.7 Cg_endo -69.76 -7.41 20.99 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.688 2.259 . . . . 0.0 112.363 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.449 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 19.7 p90 -96.14 2.75 53.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.449 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 42.8 mt-10 -121.69 163.09 19.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -139.8 136.93 34.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 2.0 t -135.3 109.26 10.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 52.0 t -82.27 135.81 35.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -112.26 112.46 24.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.2 tp -75.1 157.56 34.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' A' ' 111' ' ' PHE . 19.6 m-85 -152.67 172.35 16.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.463 ' HB3' HD12 ' A' ' 24' ' ' LEU . . . -144.46 157.54 44.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.142 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.449 ' HG2' ' N ' ' A' ' 138' ' ' ALA . 87.8 mt-10 -70.79 120.45 16.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 10.4 tt -97.39 -45.7 6.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.913 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.82 144.17 29.76 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.574 0.702 . . . . 0.0 110.86 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -49.85 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.641 2.227 . . . . 0.0 112.383 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -52.0 -42.55 63.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.433 ' NE2' ' HB3' ' A' ' 21' ' ' CYS . 31.5 mt-30 -114.38 80.48 5.98 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.572 0.701 . . . . 0.0 110.91 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -172.13 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.751 2.301 . . . . 0.0 112.33 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.449 ' N ' ' HG2' ' A' ' 131' ' ' GLU . . . -74.53 -45.96 42.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -46.35 -47.82 16.33 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.57 -28.01 65.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 0.0 111.131 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 74.9 mt -77.4 -73.14 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.706 HG21 HG23 ' A' ' 93' ' ' THR . 6.4 m -45.74 -48.47 4.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.435 ' N ' HG23 ' A' ' 142' ' ' VAL . 75.2 m -47.9 -63.51 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' PHE . . . . . 0.536 ' HD2' HG11 ' A' ' 63' ' ' VAL . 57.8 t80 -48.76 -42.27 34.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.482 HG23 ' HG ' ' A' ' 149' ' ' LEU . 96.0 mt -59.54 -59.92 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 45.2 p -58.41 -15.32 10.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.16 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 8.5 mtpt -85.81 -42.98 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 28.8 t -92.91 -68.12 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.146 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.657 HD13 HG23 ' A' ' 85' ' ' VAL . 3.7 mm? -39.99 -70.37 0.11 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 4.7 mt -59.08 -44.66 91.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 100.3 24.53 9.49 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.521 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -71.99 165.18 24.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.74 117.39 9.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -127.58 104.31 7.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 50.7 p -60.17 132.9 55.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 178.88 79.29 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.487 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 163.59 37.69 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.69 2.26 . . . . 0.0 112.333 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.4 t -164.34 148.11 9.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 5.0 m -43.88 -53.15 6.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.457 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 m -122.34 -49.69 2.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.878 0.371 . . . . 0.0 110.884 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 t -78.33 91.75 4.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.38 -134.94 18.92 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.524 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -154.63 160.79 41.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.896 0.379 . . . . 0.0 110.843 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.0 m -139.31 132.1 29.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.92 136.56 3.64 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.517 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.61 94.87 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.352 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 10' ' ' THR . 98.6 p -67.84 -47.63 68.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 9' ' ' SER . 41.4 p 34.64 43.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.126 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.43 -21.42 59.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -42.02 -61.57 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.19 -49.37 77.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.94 -43.93 19.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.866 HD21 ' HB2' ' A' ' 65' ' ' ALA . 73.1 mt -67.29 -44.99 77.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.947 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.7 mtt85 -55.88 -19.89 13.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -84.54 -63.16 1.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.05 133.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.66 123.66 33.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 0.0 111.051 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.57 120.28 11.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.467 ' HB2' ' NE2' ' A' ' 136' ' ' GLN . 2.0 t -154.74 178.8 9.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.8 p -93.92 129.41 40.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.1 m -115.54 173.5 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.162 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.626 ' C ' HD13 ' A' ' 24' ' ' LEU . 2.3 tm? -104.51 110.85 23.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.411 ' N ' HD13 ' A' ' 24' ' ' LEU . 20.7 t80 -80.35 100.72 8.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.634 HD22 ' CD2' ' A' ' 100' ' ' TRP . 96.3 mt -69.03 -72.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 28' ' ' SER . 5.9 t -162.52 -176.0 4.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.436 ' N ' ' OG1' ' A' ' 27' ' ' THR . 61.9 p -140.22 119.87 13.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.2 t -113.96 139.51 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.145 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -75.66 119.95 20.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.584 HG21 ' HB1' ' A' ' 39' ' ' ALA . 42.1 p -114.03 42.07 2.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.129 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -42.3 -45.92 4.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -94.0 -43.1 8.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -62.36 136.16 57.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.945 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.432 HG22 ' ND2' ' A' ' 124' ' ' ASN . 33.4 p -142.81 177.39 8.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 55.4 -150.36 20.99 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.528 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.528 ' HD3' ' CE2' ' A' ' 90' ' ' PHE . 53.9 Cg_endo -69.76 -20.96 34.16 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.668 2.245 . . . . 0.0 112.363 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -63.3 -36.33 83.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.584 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -66.6 -39.08 88.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.3 t -60.74 -48.39 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.087 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.27 -33.36 74.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.131 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.5 ttt85 -57.75 -62.69 1.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.84 -35.06 30.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.07 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.1 m -65.18 -36.2 83.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.4 t -71.47 -63.49 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -38.11 -35.46 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.117 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.404 ' C ' HD13 ' A' ' 48' ' ' LEU . . . -45.8 -50.78 13.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.82 HD22 ' H ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -99.72 -33.26 10.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.1 t -63.8 -50.3 69.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.414 ' O ' ' O ' ' A' ' 51' ' ' SER . 1.4 m -84.09 24.69 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.505 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 0.4 OUTLIER -38.98 160.59 0.09 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.675 0.75 . . . . 0.0 110.856 -179.725 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 51' ' ' SER . 54.1 Cg_endo -69.75 153.36 92.92 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.354 -0.045 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.41 ' C ' ' HD2' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -55.96 142.28 65.28 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.646 0.736 . . . . 0.0 110.851 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 166.05 28.82 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 94.5 m -93.73 110.46 47.52 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.596 0.712 . . . . 0.0 111.14 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.485 ' CB ' HD11 ' A' ' 24' ' ' LEU . 53.9 Cg_endo -69.76 172.69 12.17 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.656 2.238 . . . . 0.0 112.36 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.76 154.32 29.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.07 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.455 HG13 ' CD1' ' A' ' 132' ' ' LEU . 57.5 t -89.93 119.78 37.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.3 m -131.24 159.61 42.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -74.03 151.35 40.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -133.88 142.02 47.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.793 ' O ' HG23 ' A' ' 68' ' ' ILE . 7.8 tptm -147.81 141.5 25.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 99.1 t -130.83 107.59 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.9 t -131.66 167.46 19.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.866 ' HB2' HD21 ' A' ' 15' ' ' LEU . . . -55.18 -22.04 15.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.07 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -90.21 19.45 5.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.93 -154.75 19.6 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.475 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.793 HG23 ' O ' ' A' ' 62' ' ' LYS . 70.6 mt -113.23 135.19 53.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.937 0.399 . . . . 0.0 111.075 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 62.3 m -114.34 137.84 51.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.109 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.2 mt -130.08 128.11 41.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.426 ' HA ' ' CB ' ' A' ' 80' ' ' ARG . 99.3 m -114.83 108.79 17.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.509 ' OD1' ' CZ ' ' A' ' 78' ' ' PHE . 0.6 OUTLIER -87.3 140.76 29.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -113.48 -50.41 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -56.07 -23.81 36.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.4 mtp180 43.12 34.21 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -93.02 -39.3 11.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.4 mt -102.39 -36.03 8.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.509 ' CZ ' ' OD1' ' A' ' 72' ' ' ASP . 1.3 p90 -174.92 172.07 2.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -108.35 167.56 9.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.426 ' CB ' ' HA ' ' A' ' 71' ' ' THR . 6.7 ptm180 -38.74 138.3 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 18.1 mmm-85 -133.25 128.66 36.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -101.08 115.78 31.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -107.15 121.05 45.89 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.699 0.761 . . . . 0.0 110.911 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 135.26 29.94 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.3 p -41.78 -39.81 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -52.3 -48.25 65.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.56 ' OG ' ' HB1' ' A' ' 115' ' ' ALA . 39.6 t -52.63 -57.84 8.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.8 mt -66.52 105.92 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.115 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.519 ' O ' HD13 ' A' ' 150' ' ' LEU . 74.0 p -111.39 -41.67 4.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.528 ' CE2' ' HD3' ' A' ' 37' ' ' PRO . 18.6 t80 -121.73 132.74 54.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.496 ' O ' ' CG2' ' A' ' 146' ' ' THR . 3.7 t -150.76 136.59 18.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.1 t -175.15 144.42 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.513 HG22 ' CB ' ' A' ' 111' ' ' PHE . 0.9 OUTLIER -52.37 168.18 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -60.75 123.3 73.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.592 0.711 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -31.82 19.86 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.713 2.276 . . . . 0.0 112.316 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -69.83 -1.77 10.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 42.68 35.19 0.65 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -86.33 171.3 11.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 8.2 mmt85 -117.63 155.13 30.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.634 ' CD2' HD22 ' A' ' 26' ' ' LEU . 53.1 t-105 -112.62 112.35 23.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 31.8 m -77.16 90.89 3.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -44.71 159.55 0.25 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -5.5 16.37 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.681 2.254 . . . . 0.0 112.321 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -91.72 -34.99 14.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 124.73 55.66 0.18 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.457 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.0 t -163.16 149.01 11.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.346 . . . . 0.0 111.172 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.1 p -88.66 154.4 20.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 90.4 p -149.04 151.99 35.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -69.25 131.54 45.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.481 HG23 ' CD1' ' A' ' 26' ' ' LEU . 13.6 mt -94.73 129.09 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.513 ' CB ' HG22 ' A' ' 93' ' ' THR . 9.3 p90 -150.66 166.54 30.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 177.02 -175.79 47.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.51 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -140.72 173.07 11.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.372 . . . . 0.0 110.875 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.3 t -118.39 117.04 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.56 ' HB1' ' OG ' ' A' ' 87' ' ' SER . . . -127.14 144.93 50.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -85.66 143.71 28.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 19.4 mttp -56.74 146.25 58.17 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.602 0.715 . . . . 0.0 110.912 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -29.6 23.68 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.713 2.275 . . . . 0.0 112.342 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -104.63 -11.88 29.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.488 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.425 ' HB3' ' NE1' ' A' ' 122' ' ' TRP . 37.8 m -130.14 78.91 73.86 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.702 0.763 . . . . 0.0 110.879 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -3.09 11.32 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.681 2.254 . . . . 0.0 112.369 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.425 ' NE1' ' HB3' ' A' ' 120' ' ' SER . 5.4 p90 -87.52 -26.97 22.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -115.56 149.68 37.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.432 ' ND2' HG22 ' A' ' 35' ' ' THR . 0.6 OUTLIER -110.64 151.95 27.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 5.2 t -133.95 121.99 40.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 43.2 t -98.95 138.05 36.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -110.9 128.67 55.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.532 ' HG ' HD12 ' A' ' 26' ' ' LEU . 9.1 tp -89.52 135.47 33.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -138.5 171.4 14.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.443 ' HB2' HD11 ' A' ' 26' ' ' LEU . . . -147.75 155.87 42.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.515 ' HG3' ' HB2' ' A' ' 138' ' ' ALA . 64.7 mt-10 -62.91 126.46 27.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.472 HD23 ' C ' ' A' ' 132' ' ' LEU . 9.7 tt -108.3 -47.8 3.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.434 ' CG ' ' HD2' ' A' ' 134' ' ' PRO . 9.7 t70 -114.98 139.91 24.88 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.6 0.714 . . . . 0.0 110.902 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.434 ' HD2' ' CG ' ' A' ' 133' ' ' ASP . 53.1 Cg_endo -69.79 -32.81 17.73 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.325 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -50.96 -36.82 40.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.467 ' NE2' ' HB2' ' A' ' 21' ' ' CYS . 26.0 mt-30 -127.91 96.27 32.42 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.602 0.715 . . . . 0.0 110.911 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 136' ' ' GLN . 53.6 Cg_endo -69.82 149.74 66.9 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.515 ' HB2' ' HG3' ' A' ' 131' ' ' GLU . . . -53.22 -32.82 50.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -62.25 -42.76 99.71 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.478 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.82 -31.0 71.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.742 0.306 . . . . 0.0 111.069 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 80.0 mt -71.61 -72.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.523 HG23 ' H ' ' A' ' 143' ' ' THR . 4.5 m -40.59 -53.51 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.523 ' H ' HG23 ' A' ' 142' ' ' VAL . 92.5 m -50.67 -70.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 143' ' ' THR . 14.0 t80 -37.67 -42.21 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.623 HG23 ' CB ' ' A' ' 149' ' ' LEU . 72.9 mt -65.98 -65.6 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 91' ' ' SER . 4.5 p -52.11 -14.25 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -83.02 -61.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.627 HG13 ' N ' ' A' ' 149' ' ' LEU . 13.6 p -97.21 -53.02 8.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.627 ' N ' HG13 ' A' ' 148' ' ' VAL . 1.8 mm? -52.44 -21.87 4.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.519 HD13 ' O ' ' A' ' 89' ' ' THR . 9.1 tp -115.97 -48.83 2.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 41.25 71.1 0.35 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -108.46 -58.41 2.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.816 0.341 . . . . 0.0 110.918 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' ARG . . . . . 0.419 ' HD2' ' C ' ' A' ' 153' ' ' ARG . 0.3 OUTLIER -96.57 168.16 10.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 28.7 tttm -77.38 119.83 21.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 25.6 t -67.81 -54.12 21.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 82.83 74.59 1.19 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.538 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 121.53 8.23 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.691 2.261 . . . . 0.0 112.364 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 25.4 t -78.14 -61.27 2.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 6.4 t -72.53 149.94 43.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.9 m -55.03 -56.05 24.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.868 0.366 . . . . 0.0 110.882 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.8 m -61.57 115.53 4.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.7 155.96 17.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.511 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -168.57 121.86 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.359 . . . . 0.0 110.883 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -100.51 148.54 24.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.23 110.0 3.31 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.507 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.79 161.32 10.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.324 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.0 m -147.44 114.91 6.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.8 p -61.87 119.17 8.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.179 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.33 -45.44 66.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.14 -33.18 25.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.119 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -73.61 -41.5 62.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 15' ' ' LEU . 7.9 mt -52.76 -63.49 1.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.511 HD21 HG21 ' A' ' 148' ' ' VAL . 37.5 mt -35.99 -53.82 0.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -42.38 -44.86 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -62.09 -50.73 70.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.01 114.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.57 119.63 39.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.781 0.324 . . . . 0.0 111.057 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.834 ' HB2' ' HG2' ' A' ' 62' ' ' LYS . . . -141.18 128.56 21.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 t -162.43 169.09 21.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.1 m -90.91 122.32 33.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.824 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.4 m -108.2 -174.8 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.13 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.713 HD11 ' HB2' ' A' ' 56' ' ' PRO . 2.3 tm? -107.5 113.28 26.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.483 ' N ' HD13 ' A' ' 24' ' ' LEU . 48.9 t80 -80.15 103.66 10.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.576 HD12 ' HG ' ' A' ' 128' ' ' LEU . 71.4 mt -73.09 -69.13 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.9 t -172.79 171.09 4.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.5 t -127.42 135.08 49.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.783 HG21 ' HA ' ' A' ' 43' ' ' ALA . 55.9 t -119.66 143.28 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.152 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -77.79 116.51 18.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.622 HG21 ' HB1' ' A' ' 39' ' ' ALA . 72.5 p -116.86 44.3 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.135 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -43.1 -42.53 4.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 t -99.79 -34.3 10.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.409 ' O ' HG23 ' A' ' 35' ' ' THR . 2.2 mm? -71.48 135.42 47.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 34' ' ' LEU . 40.4 p -156.59 141.38 17.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.27 -151.67 18.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -16.7 37.66 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.691 2.261 . . . . 0.0 112.391 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -78.49 -45.0 23.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.622 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -54.92 -42.01 71.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.8 t -61.17 -44.7 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.33 -53.41 57.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.081 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -42.12 -65.0 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.783 ' HA ' HG21 ' A' ' 29' ' ' VAL . . . -39.9 -48.89 2.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.087 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.435 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 61.2 m -60.81 -57.31 13.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.836 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.7 t -43.79 -49.2 8.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.47 -29.39 68.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.134 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 44' ' ' SER . . . -59.61 -45.32 92.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.551 ' N ' HD12 ' A' ' 48' ' ' LEU . 5.7 mp -85.1 -36.9 20.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.7 t -64.32 -53.24 51.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.6 p -55.4 147.9 16.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.527 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 20.7 p -150.79 153.79 34.02 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.669 0.747 . . . . 0.0 110.905 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 51' ' ' SER . 54.1 Cg_endo -69.76 166.71 73.34 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.391 -0.033 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -43.55 138.52 2.88 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.572 0.701 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 159.97 51.42 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.621 2.214 . . . . 0.0 112.312 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.4 m -104.21 94.18 6.48 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.521 0.677 . . . . 0.0 111.128 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.713 ' HB2' HD11 ' A' ' 24' ' ' LEU . 53.9 Cg_endo -69.76 156.36 63.53 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -137.39 156.03 48.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.0 m -86.89 138.68 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.3 m -143.8 172.77 6.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -86.27 132.77 33.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.548 ' CE1' HG23 ' A' ' 141' ' ' ILE . 11.0 t80 -118.81 123.57 45.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.834 ' HG2' ' HB2' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -148.43 147.98 29.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.5 t -125.66 121.03 59.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.165 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.5 p -135.64 169.13 18.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.55 -18.87 21.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.099 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 14.0 mt-30 -83.67 -15.44 48.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 127.63 -143.57 14.46 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.533 HG12 HD11 ' A' ' 88' ' ' ILE . 16.7 mm -103.64 136.58 35.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 111.134 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.8 m -119.31 130.14 55.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 24.5 mt -128.83 145.37 51.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.419 HG22 ' N ' ' A' ' 72' ' ' ASP . 78.2 m -138.34 154.77 48.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.419 ' N ' HG22 ' A' ' 71' ' ' THR . 8.3 t70 -135.8 150.65 49.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -115.4 -49.38 2.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -65.35 -7.57 14.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 39.23 43.41 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -77.69 -54.69 6.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.5 mt -101.29 -50.89 3.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -145.78 158.51 43.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -86.84 -55.81 3.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.1 ptt-85 -158.77 151.8 22.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.946 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.43 ' NE ' ' HA ' ' A' ' 81' ' ' ARG . 4.6 mmp_? -149.35 123.59 9.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -119.51 130.36 55.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -119.93 143.35 35.07 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.683 0.754 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.406 ' HA ' ' O ' ' A' ' 66' ' ' GLN . 53.4 Cg_endo -69.78 171.56 14.28 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.7 2.266 . . . . 0.0 112.332 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.67 HG23 ' CD1' ' A' ' 149' ' ' LEU . 11.0 p -73.61 -24.34 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 87' ' ' SER . 35.2 t-20 -72.25 -52.8 14.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 86' ' ' ASN . 91.1 p -37.13 -49.19 0.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.533 HD11 HG12 ' A' ' 68' ' ' ILE . 12.1 mt -68.41 109.62 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.158 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.425 ' O ' HD21 ' A' ' 150' ' ' LEU . 38.6 p -105.98 -31.76 8.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.431 ' CG ' ' N ' ' A' ' 91' ' ' SER . 62.5 t80 -135.76 169.01 18.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.431 ' N ' ' CG ' ' A' ' 90' ' ' PHE . 1.2 m -175.24 129.81 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.8 t -175.94 144.63 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.716 HG23 HG21 ' A' ' 142' ' ' VAL . 10.6 p -57.37 167.19 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.099 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -58.94 128.27 84.5 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.613 0.72 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.417 ' HG2' ' NE2' ' A' ' 96' ' ' GLN . 53.8 Cg_endo -69.7 -47.09 1.02 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.727 2.285 . . . . 0.0 112.355 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.417 ' NE2' ' HG2' ' A' ' 95' ' ' PRO . 15.4 mp0 -54.9 -25.29 28.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.0 t70 62.37 32.25 16.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -82.41 159.7 22.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -104.2 139.62 38.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.574 ' CD1' HD21 ' A' ' 26' ' ' LEU . 68.7 t-105 -101.43 114.92 29.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.5 m -76.15 93.97 3.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.112 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -58.12 157.53 16.26 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.615 0.721 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -3.49 12.11 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.658 2.239 . . . . 0.0 112.395 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -94.75 8.83 41.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.59 51.28 9.74 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 34.9 p -155.15 152.41 29.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 111.127 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 53.7 p -100.67 154.66 18.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.144 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 72.7 m -155.26 166.81 32.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -84.68 150.71 24.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 61.5 mt -101.59 143.99 13.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.165 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.766 ' HB3' ' HB1' ' A' ' 138' ' ' ALA . 3.1 p90 -159.21 152.69 22.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -163.05 170.4 38.52 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.513 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.535 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -129.36 167.63 17.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.905 0.383 . . . . 0.0 110.861 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.7 t -124.16 103.43 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.51 161.87 21.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -77.3 151.7 34.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -63.24 148.45 93.13 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.635 0.731 . . . . 0.0 110.891 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -22.61 31.99 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.702 2.268 . . . . 0.0 112.372 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -107.59 -32.63 3.33 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.8 m -117.66 108.6 42.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.621 0.724 . . . . 0.0 110.859 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -2.78 10.75 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.732 2.288 . . . . 0.0 112.329 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 35.2 p90 -113.42 1.27 15.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -112.74 108.05 16.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -90.45 141.06 29.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 94.3 t -137.07 118.53 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.748 ' SG ' ' HB2' ' A' ' 43' ' ' ALA . 14.2 p -84.63 123.17 30.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.435 ' HB2' ' CE1' ' A' ' 113' ' ' PHE . 86.8 m-70 -96.74 110.0 22.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.576 ' HG ' HD12 ' A' ' 26' ' ' LEU . 11.4 tp -75.95 148.5 38.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.411 ' HB3' ' CE1' ' A' ' 111' ' ' PHE . 43.9 m-85 -153.96 169.58 23.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.504 ' HB2' HD11 ' A' ' 26' ' ' LEU . . . -145.01 122.81 11.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -42.59 105.98 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.494 HD23 ' C ' ' A' ' 132' ' ' LEU . 9.0 tt -72.99 -52.46 14.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -84.56 135.38 40.89 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.611 0.72 . . . . 0.0 110.891 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -37.29 9.39 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.644 2.229 . . . . 0.0 112.366 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -58.63 -36.49 74.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.441 ' HA ' ' HD2' ' A' ' 137' ' ' PRO . 28.1 mm-40 -115.98 102.7 53.86 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.635 0.731 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 136' ' ' GLN . 53.5 Cg_endo -69.81 176.54 6.67 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.366 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.766 ' HB1' ' HB3' ' A' ' 111' ' ' PHE . . . -62.96 -45.91 90.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -50.2 -54.67 18.53 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -43.4 -29.47 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.721 0.296 . . . . 0.0 111.067 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.548 HG23 ' CE1' ' A' ' 61' ' ' PHE . 55.7 mt -76.31 -71.72 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.716 HG21 HG23 ' A' ' 93' ' ' THR . 17.4 m -46.58 -53.92 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.587 ' N ' HG23 ' A' ' 142' ' ' VAL . 98.2 m -41.87 -51.44 4.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.123 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' PHE . . . . . 0.409 ' O ' HG12 ' A' ' 148' ' ' VAL . 70.7 t80 -59.73 -30.26 68.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.642 HD12 ' HA ' ' A' ' 142' ' ' VAL . 71.0 mt -73.44 -73.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.428 ' HA ' HD12 ' A' ' 150' ' ' LEU . 5.5 p -47.02 -23.41 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.186 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 143' ' ' THR . 10.6 mmtp -67.54 -57.25 6.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.687 HG13 HD22 ' A' ' 149' ' ' LEU . 9.7 p -88.17 -49.04 14.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.687 HD22 HG13 ' A' ' 148' ' ' VAL . 4.5 mm? -58.04 -62.57 1.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 146' ' ' THR . 10.4 mt -83.76 31.9 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -164.83 115.36 0.64 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.5 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 -111.8 99.24 7.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.76 0.314 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -125.92 93.75 3.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.64 153.26 16.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 6.5 t -143.46 108.51 4.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -145.17 164.78 27.9 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.442 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 138.18 37.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.33 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 13.5 t -123.08 138.79 54.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 43.4 p -61.79 161.37 10.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.46 179.981 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 m -133.22 154.28 50.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.851 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.7 m -149.58 150.2 31.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.99 88.52 1.42 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.532 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -58.91 -60.01 4.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.908 0.385 . . . . 0.0 110.844 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t -68.97 -61.76 1.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.833 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.05 -95.78 0.82 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.7 ptm -165.21 169.4 16.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.1 t -172.39 -178.03 1.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.592 ' O ' HD22 ' A' ' 14' ' ' LEU . 1.6 t -82.51 78.49 9.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.148 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.759 ' HA ' HD23 ' A' ' 14' ' ' LEU . . . -37.2 -37.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.078 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.472 ' HA ' HD23 ' A' ' 15' ' ' LEU . . . -44.38 -46.4 9.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 16' ' ' ARG . 4.4 m-20 -73.48 -69.38 0.43 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.759 HD23 ' HA ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -34.76 -47.59 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.755 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -51.83 -45.39 63.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.904 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 13' ' ' ASP . 1.1 ptp180 -76.64 -23.55 53.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 35.3 tp60 -65.45 -28.4 69.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.2 130.44 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.499 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.64 119.19 23.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.784 0.326 . . . . 0.0 111.087 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.524 ' HB2' ' NZ ' ' A' ' 62' ' ' LYS . . . -143.42 126.8 16.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.9 p -159.78 160.24 33.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 t -81.34 128.05 33.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.8 m -115.94 -175.52 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.141 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.767 ' C ' HD13 ' A' ' 24' ' ' LEU . 2.2 tm? -119.63 117.34 28.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.517 ' N ' HD13 ' A' ' 24' ' ' LEU . 48.6 t80 -85.46 99.02 10.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.946 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.505 HD11 ' HB2' ' A' ' 130' ' ' ALA . 55.7 mt -61.69 -69.25 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.3 t -170.93 160.0 6.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.0 p -119.46 122.6 42.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.622 ' O ' HG23 ' A' ' 31' ' ' THR . 55.8 t -113.69 111.39 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.159 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -47.12 116.29 1.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.622 HG23 ' O ' ' A' ' 29' ' ' VAL . 71.5 p -112.91 38.13 2.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.093 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 31' ' ' THR . 1.3 pp20? -34.47 -53.3 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.429 ' N ' ' CD ' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -86.44 -45.96 10.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 -179.787 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 31' ' ' THR . 2.3 mm? -61.9 135.57 57.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.7 t -155.23 164.71 38.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.29 -155.59 40.27 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -8.86 24.67 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.686 2.257 . . . . 0.0 112.319 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.1 tp60 -83.65 -48.75 9.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -47.73 -40.9 21.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.499 HG22 ' SG ' ' A' ' 126' ' ' CYS . 48.3 t -65.2 -36.58 78.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.85 -31.93 71.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.6 ttt85 -62.36 -58.67 6.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.76 -48.74 5.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.057 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.7 m -63.97 -45.93 86.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.8 m -52.15 -45.5 65.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.84 -34.36 62.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.31 -30.93 71.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.8 mt -93.4 -38.99 11.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.4 t -67.08 -53.2 33.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -54.92 151.4 8.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.531 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 21.0 p -157.45 153.84 24.13 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.672 0.749 . . . . 0.0 110.832 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.7 Cg_endo -69.78 175.87 34.93 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.356 -0.034 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.1 mtm-85 -47.07 138.46 7.57 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.628 0.727 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 176.29 6.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.661 2.241 . . . . 0.0 112.331 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.1 m -114.48 96.59 43.85 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.567 0.698 . . . . 0.0 111.16 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.502 ' HB2' HD11 ' A' ' 24' ' ' LEU . 53.7 Cg_endo -69.73 153.28 69.26 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.736 2.291 . . . . 0.0 112.319 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -124.73 136.32 53.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.462 HG23 ' CD1' ' A' ' 132' ' ' LEU . 2.4 p -86.59 121.05 37.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.133 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.6 m -132.51 -178.29 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.443 ' CG ' ' N ' ' A' ' 61' ' ' PHE . 40.0 t-80 -94.85 163.15 13.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.443 ' N ' ' CG ' ' A' ' 60' ' ' HIS . 8.1 t80 -141.93 133.45 26.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.524 ' NZ ' ' HB2' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -132.56 135.63 46.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.477 HG11 ' CD2' ' A' ' 144' ' ' PHE . 75.7 t -119.08 109.73 27.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 96.2 p -139.54 161.54 37.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.89 -43.16 69.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.068 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 -60.17 -13.27 11.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.16 -155.23 20.93 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 87.2 mt -113.33 148.9 15.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.879 0.371 . . . . 0.0 111.191 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 90.6 m -131.22 138.46 49.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.5 mt -127.15 124.84 40.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.965 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 62.2 m -118.72 138.11 52.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -121.82 146.94 46.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -104.93 -41.43 5.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -71.27 -13.97 62.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 47.86 47.45 18.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -74.04 -39.36 63.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.0 mt -125.71 -49.49 1.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -139.64 -179.22 5.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.555 ' CD2' ' HB2' ' A' ' 80' ' ' ARG . 45.1 t80 -129.38 -64.58 0.89 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.555 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 27.0 ttp180 -124.77 99.41 6.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 25.6 mtp85 -125.76 121.3 32.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -122.25 150.53 42.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -126.05 150.06 68.24 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.692 0.758 . . . . 0.0 110.906 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 167.61 23.99 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.353 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.83 HG23 HD13 ' A' ' 149' ' ' LEU . 13.8 p -77.65 -37.37 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.171 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -56.2 -57.54 11.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.639 ' O ' HG23 ' A' ' 89' ' ' THR . 78.0 p -39.88 -59.65 1.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.8 mt -52.48 97.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 87' ' ' SER . 77.1 p -113.47 -21.77 10.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -139.42 143.69 37.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 46.0 t -172.77 105.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.1 t -156.61 148.17 22.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.665 HG23 HG21 ' A' ' 142' ' ' VAL . 21.4 p -44.08 137.66 3.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.197 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.483 ' OD2' HG12 ' A' ' 40' ' ' VAL . 4.0 t70 -46.67 140.37 5.91 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.577 0.703 . . . . 0.0 110.838 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.42 ' HD2' ' CG ' ' A' ' 94' ' ' ASP . 54.2 Cg_endo -69.72 -31.68 20.2 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 0.0 112.361 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -62.1 -30.4 70.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 22.4 t0 60.57 28.52 18.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -77.72 155.35 31.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 -106.7 128.36 54.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 67.5 t-105 -91.84 107.63 19.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 30.4 m -69.93 92.14 0.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.145 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.411 HD21 ' HD2' ' A' ' 103' ' ' PRO . 5.7 m120 -56.24 160.42 4.96 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.602 0.715 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.411 ' HD2' HD21 ' A' ' 102' ' ' ASN . 53.5 Cg_endo -69.81 -5.36 16.05 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.695 2.263 . . . . 0.0 112.29 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -96.45 24.72 5.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.896 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 56.95 53.36 44.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.518 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.8 t -156.45 150.24 24.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.372 . . . . 0.0 111.139 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 37.1 p -93.94 155.3 17.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.159 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.1 p -152.36 130.34 11.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -61.44 133.5 55.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 54.9 mt -84.54 120.52 35.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -133.45 157.26 46.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -170.23 176.47 43.89 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -139.34 173.59 11.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.535 HG22 ' SG ' ' A' ' 126' ' ' CYS . 16.9 t -127.04 114.37 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.13 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -119.57 140.09 51.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -65.6 146.07 55.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.512 ' HG3' HG23 ' A' ' 125' ' ' VAL . 33.5 mttm -59.37 149.23 70.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.557 0.694 . . . . 0.0 110.919 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -46.81 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.71 2.273 . . . . 0.0 112.367 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -84.98 -35.34 12.8 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.432 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.402 ' HA ' ' HD2' ' A' ' 121' ' ' PRO . 45.3 m -109.82 93.27 14.24 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.686 0.755 . . . . 0.0 110.843 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.532 ' HG2' ' CE3' ' A' ' 122' ' ' TRP . 53.5 Cg_endo -69.78 -1.73 8.98 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.329 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.532 ' CE3' ' HG2' ' A' ' 121' ' ' PRO . 1.8 p90 -99.33 -13.35 19.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -105.57 175.55 5.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -146.06 142.85 28.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.512 HG23 ' HG3' ' A' ' 117' ' ' LYS . 96.7 t -130.66 116.59 35.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.535 ' SG ' HG22 ' A' ' 114' ' ' VAL . 34.0 t -92.06 143.39 26.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -116.06 149.17 39.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.581 ' O ' ' CD1' ' A' ' 129' ' ' PHE . 8.0 tp -107.56 146.79 31.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.581 ' CD1' ' O ' ' A' ' 128' ' ' LEU . 34.4 m-85 -152.67 162.19 41.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.505 ' HB2' HD11 ' A' ' 26' ' ' LEU . . . -134.58 149.45 50.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.079 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.38 114.03 2.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.462 ' CD1' HG23 ' A' ' 58' ' ' VAL . 9.2 tt -89.05 -46.49 8.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.97 141.49 25.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.579 0.704 . . . . 0.0 110.858 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -46.01 1.35 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.688 2.259 . . . . 0.0 112.303 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -50.62 -40.0 51.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -107.55 86.63 2.91 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.579 0.704 . . . . 0.0 110.951 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 146.54 60.59 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.36 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.657 ' HA ' HD12 ' A' ' 141' ' ' ILE . . . -42.8 -48.26 5.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -47.69 -53.32 13.51 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.33 -27.11 33.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.779 0.324 . . . . 0.0 111.076 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.657 HD12 ' HA ' ' A' ' 138' ' ' ALA . 51.4 mt -78.79 -71.84 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.665 HG21 HG23 ' A' ' 93' ' ' THR . 8.4 m -46.69 -46.78 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.43 ' N ' HG23 ' A' ' 142' ' ' VAL . 91.9 m -52.76 -58.44 6.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' PHE . . . . . 0.477 ' CD2' HG11 ' A' ' 63' ' ' VAL . 20.6 t80 -49.36 -36.77 22.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 55.0 mt -62.69 -70.41 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.541 HG22 HD22 ' A' ' 150' ' ' LEU . 57.3 p -51.93 -19.8 1.98 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.19 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.33 -41.45 24.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 82.9 t -95.91 -61.82 2.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.83 HD13 HG23 ' A' ' 85' ' ' VAL . 3.6 mm? -49.79 -68.58 0.16 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.541 HD22 HG22 ' A' ' 146' ' ' THR . 8.4 mp -66.04 -38.69 89.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -52.82 -101.81 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.499 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -164.45 163.85 22.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 0.0 110.909 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.59 131.79 55.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.0 -57.35 3.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 5.9 t -50.49 134.86 23.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -164.15 84.0 0.11 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.544 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 165.96 29.12 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.708 2.272 . . . . 0.0 112.336 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 7.1 t -108.44 107.35 17.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 17.7 t -148.52 157.34 43.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.502 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 3' ' ' SER . 45.8 t -120.68 -61.54 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.88 0.371 . . . . 0.0 110.865 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 2' ' ' SER . 74.8 m -35.6 126.53 0.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.37 101.85 0.2 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.477 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.6 m -153.06 164.61 37.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.377 . . . . 0.0 110.857 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 t -142.42 173.82 11.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.19 175.25 36.38 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 30.9 mtt -96.39 151.97 19.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.332 . . . . 0.0 110.835 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.5 p -162.4 176.9 10.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.8 p -106.49 34.8 3.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.179 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' ALA . . . -38.45 -42.25 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 11' ' ' ALA . . . -35.59 -63.16 0.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -47.21 -54.5 10.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.85 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 14' ' ' LEU . 7.7 mt -47.91 -66.07 0.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.469 HD12 ' H ' ' A' ' 15' ' ' LEU . 8.2 mp -47.98 -57.99 5.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -47.42 -42.17 21.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -62.42 -60.07 4.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 73.79 131.15 0.19 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.444 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.34 119.88 33.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 111.066 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.56 135.77 48.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.4 p -157.02 165.89 34.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.404 ' O ' HD22 ' A' ' 132' ' ' LEU . 4.6 t -86.09 130.29 34.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.9 m -112.68 172.97 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.681 HD11 ' CB ' ' A' ' 56' ' ' PRO . 1.3 tm? -103.26 111.53 23.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.534 ' N ' HD13 ' A' ' 24' ' ' LEU . 55.8 t80 -85.05 94.44 8.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.577 HD12 ' HG ' ' A' ' 128' ' ' LEU . 53.4 mt -60.83 -64.02 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.5 t -173.85 163.41 4.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.088 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.0 p -114.4 122.81 47.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.3 t -117.17 123.87 72.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.125 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -60.05 126.72 28.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 32' ' ' GLU . 75.2 p -125.35 35.99 4.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.169 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 31' ' ' THR . 12.8 pt-20 -34.19 -48.21 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 t -91.5 -42.48 10.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 31' ' ' THR . 2.1 mm? -65.64 143.29 57.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.2 t -162.28 171.86 16.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.409 ' HA3' ' HD2' ' A' ' 37' ' ' PRO . . . 70.22 -147.62 44.56 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.482 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.409 ' HD2' ' HA3' ' A' ' 36' ' ' GLY . 52.9 Cg_endo -69.83 -27.5 26.05 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.659 2.24 . . . . 0.0 112.311 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -66.38 -52.89 42.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -44.94 -48.88 11.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.469 HG22 ' SG ' ' A' ' 126' ' ' CYS . 44.3 t -60.84 -30.03 46.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.122 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.68 -58.11 3.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.5 ttt85 -40.02 -59.82 1.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.84 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.678 ' HB3' HD13 ' A' ' 128' ' ' LEU . . . -37.99 -63.63 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.075 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.1 m -41.87 -46.03 3.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.1 t -60.64 -59.75 4.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -47.04 -45.69 21.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.061 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.02 -33.06 10.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.124 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mt -92.92 -41.97 9.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.6 t -66.39 -17.31 64.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 51' ' ' SER . 1.4 t -90.92 14.89 12.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.547 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 68.9 p -36.46 151.39 0.11 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.69 0.757 . . . . 0.0 110.851 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.6 Cg_endo -69.79 150.53 90.37 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 -1.811 . . . . 0.0 112.319 0.075 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 52' ' ' PRO . 32.2 mtt85 -34.67 126.36 0.52 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.619 0.723 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 145.81 58.44 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.721 2.281 . . . . 0.0 112.322 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 91.5 m -78.13 111.63 19.77 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.625 0.726 . . . . 0.0 111.146 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.681 ' CB ' HD11 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.74 169.79 18.06 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.663 2.242 . . . . 0.0 112.376 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -140.19 146.19 38.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.0 m -87.4 137.2 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.619 HG12 ' HA ' ' A' ' 72' ' ' ASP . 21.4 m -142.39 164.3 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -85.51 139.4 31.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -124.39 132.14 53.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -134.85 126.86 29.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.607 HG11 ' CD2' ' A' ' 144' ' ' PHE . 97.8 t -106.7 100.23 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.063 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.4 p -138.51 156.09 47.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -43.93 -56.78 3.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.11 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 65' ' ' ALA . 39.7 tp60 -37.45 -30.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . 142.76 -127.72 3.24 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.452 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 94.2 mt -144.84 128.25 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.38 . . . . 0.0 111.087 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.404 ' O ' HD23 ' A' ' 70' ' ' LEU . 55.0 m -113.68 140.9 47.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.404 HD23 ' O ' ' A' ' 69' ' ' THR . 17.7 mt -132.28 131.23 41.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.946 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 20.7 m -124.17 126.35 46.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.619 ' HA ' HG12 ' A' ' 59' ' ' VAL . 19.2 t0 -111.86 -58.46 2.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 74.96 25.01 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -110.51 -25.38 10.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.438 ' HD3' ' CD1' ' A' ' 79' ' ' PHE . 16.8 mmm180 45.14 42.03 6.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -113.26 -43.01 3.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 23.4 mt -118.07 -40.42 2.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -161.58 133.44 5.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.438 ' CD1' ' HD3' ' A' ' 75' ' ' ARG . 10.2 t80 -93.95 171.49 8.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -41.73 136.49 1.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 83' ' ' TYR . 43.4 mtt180 -148.76 119.15 7.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -99.39 126.32 45.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 81' ' ' ARG . 10.0 m-85 -118.1 134.44 23.34 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.688 0.756 . . . . 0.0 110.928 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 146.49 60.72 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.724 2.282 . . . . 0.0 112.358 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.736 HG23 HD13 ' A' ' 149' ' ' LEU . 12.3 p -45.92 -27.08 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.143 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 87' ' ' SER . 58.2 m-20 -64.16 -63.08 1.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.439 ' O ' HG23 ' A' ' 89' ' ' THR . 28.3 t -35.88 -59.31 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 29.3 mt -55.31 111.55 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.075 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 87' ' ' SER . 46.0 p -117.9 -47.04 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -119.73 138.01 53.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.8 t -160.73 112.0 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 m -161.35 156.6 24.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.572 HG23 HG21 ' A' ' 142' ' ' VAL . 1.2 p -58.03 142.76 45.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.193 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.432 ' CG ' ' HD2' ' A' ' 95' ' ' PRO . 7.0 t70 -36.0 139.98 0.39 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.606 0.717 . . . . 0.0 110.823 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.461 ' HG2' ' NE2' ' A' ' 96' ' ' GLN . 54.1 Cg_endo -69.83 -37.04 9.55 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.659 2.239 . . . . 0.0 112.341 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.461 ' NE2' ' HG2' ' A' ' 95' ' ' PRO . 26.2 mp0 -80.58 -26.78 37.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.0 t70 65.2 37.1 6.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -65.45 159.2 24.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -101.35 127.79 47.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.562 ' CD1' HD21 ' A' ' 26' ' ' LEU . 33.9 t-105 -91.0 103.1 15.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 31.3 m -72.12 92.01 1.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.114 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -46.7 160.49 0.32 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.606 0.717 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 1.55 4.39 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 0.0 112.319 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -96.58 -39.22 9.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 129.29 26.7 0.87 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.466 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 34.2 p -130.25 151.41 50.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.9 0.381 . . . . 0.0 111.135 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 41.2 p -88.48 157.76 18.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 43.0 m -154.66 153.41 31.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.81 133.01 40.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.872 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 62.7 mt -99.47 122.85 51.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -140.05 164.63 29.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 175.95 162.86 27.66 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.415 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 3.9 p90 -115.36 176.82 4.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.924 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 22.5 t -123.85 103.74 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -109.55 142.15 41.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 33.5 mttm -70.38 153.15 43.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.442 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 7.6 ttmm -64.13 138.72 97.5 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.564 0.697 . . . . 0.0 110.906 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.442 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 53.5 Cg_endo -69.74 -2.33 9.97 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.365 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -117.91 -33.28 1.29 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.471 ' HB3' ' CE2' ' A' ' 122' ' ' TRP . 73.9 m -133.27 120.84 16.23 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.642 0.734 . . . . 0.0 110.865 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -19.12 36.8 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.676 2.25 . . . . 0.0 112.376 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.471 ' CE2' ' HB3' ' A' ' 120' ' ' SER . 38.1 p90 -86.87 -16.34 36.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.417 ' HG2' ' CD1' ' A' ' 122' ' ' TRP . 17.4 mt-10 -101.7 116.43 32.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 31' ' ' THR . 5.3 m-80 -98.36 144.63 27.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 89.6 t -133.89 105.06 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.469 ' SG ' HG22 ' A' ' 40' ' ' VAL . 46.7 t -84.35 137.35 33.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -107.74 122.88 47.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.678 HD13 ' HB3' ' A' ' 43' ' ' ALA . 9.2 tp -81.84 146.41 29.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -152.34 172.06 17.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -149.96 159.21 44.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.067 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.627 ' HG3' ' HB2' ' A' ' 138' ' ' ALA . 93.0 mt-10 -60.54 115.11 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.511 HD23 ' C ' ' A' ' 132' ' ' LEU . 7.4 tt -95.17 -45.69 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 10.8 p30 -108.96 138.6 20.4 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.643 0.735 . . . . 0.0 110.879 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -45.68 1.51 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.308 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.402 ' OD1' ' OE1' ' A' ' 136' ' ' GLN . 0.6 OUTLIER -48.4 -47.18 37.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.402 ' OE1' ' OD1' ' A' ' 135' ' ' ASP . 7.4 mp0 -104.46 101.65 28.9 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.575 0.702 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 153.64 68.61 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.668 2.245 . . . . 0.0 112.332 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.627 ' HB2' ' HG3' ' A' ' 131' ' ' GLU . . . -47.15 -50.11 21.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.087 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -47.68 -58.64 6.61 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.523 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -42.65 -35.99 1.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.75 0.309 . . . . 0.0 111.114 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.452 HD12 ' HA ' ' A' ' 138' ' ' ALA . 58.9 mt -69.2 -73.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.137 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.622 ' HA ' HD12 ' A' ' 145' ' ' ILE . 6.4 m -48.34 -51.42 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.479 ' N ' HG23 ' A' ' 142' ' ' VAL . 88.3 m -48.49 -60.71 2.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.186 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' PHE . . . . . 0.607 ' CD2' HG11 ' A' ' 63' ' ' VAL . 14.5 t80 -48.51 -51.6 26.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 142' ' ' VAL . 64.2 mt -46.92 -57.42 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.841 ' HB ' HD12 ' A' ' 150' ' ' LEU . 28.8 p -61.69 -40.49 95.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -55.16 -39.64 69.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 74.8 t -92.58 -63.56 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.082 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.736 HD13 HG23 ' A' ' 85' ' ' VAL . 1.2 mm? -48.81 -70.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.841 HD12 ' HB ' ' A' ' 146' ' ' THR . 64.6 mt -62.82 -72.43 0.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 123.36 73.92 0.27 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.49 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -87.7 178.11 6.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 110.927 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' ARG . . . . . 0.422 ' HD3' ' N ' ' A' ' 154' ' ' LYS . 0.4 OUTLIER -111.66 175.54 5.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 154' ' ' LYS . . . . . 0.422 ' N ' ' HD3' ' A' ' 153' ' ' ARG . 6.8 mtpm? -35.38 120.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.95 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 6.9 t -109.17 -44.7 3.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.87 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -158.45 143.16 9.05 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.504 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 161.01 47.6 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.713 2.275 . . . . 0.0 112.353 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 58.4 m -111.69 -61.58 1.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 57.6 p -74.79 -51.44 14.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.831 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.542 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.4 p -171.65 119.56 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.359 . . . . 0.0 110.91 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.6 m -126.24 146.16 50.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.72 131.16 1.38 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.44 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -160.67 126.05 3.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.873 0.368 . . . . 0.0 110.818 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.9 m -137.08 157.02 47.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.2 141.42 4.58 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.459 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.04 150.41 44.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.775 0.321 . . . . 0.0 110.836 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.9 m -141.41 170.61 15.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 11' ' ' ALA . 39.5 p -88.87 76.87 7.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.114 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 10' ' ' THR . . . -37.89 -38.76 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.091 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -39.36 -67.81 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.095 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.67 -47.95 82.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 mp -41.11 -57.41 2.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.9 mt -47.84 -55.58 9.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.4 mtp85 -45.8 -25.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -93.31 -179.08 4.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.78 138.59 5.77 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.513 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.42 119.36 35.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 111.083 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.5 125.38 16.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.2 m -162.74 -178.01 5.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.58 ' HB3' HD21 ' A' ' 132' ' ' LEU . 3.3 m -92.2 152.77 19.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.577 ' C ' HD23 ' A' ' 132' ' ' LEU . 33.7 m -140.45 163.95 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.122 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.615 ' C ' HD13 ' A' ' 24' ' ' LEU . 2.7 tm? -95.22 121.77 37.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.574 ' N ' HD13 ' A' ' 24' ' ' LEU . 64.5 t80 -90.81 111.1 22.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.955 HD12 ' HG ' ' A' ' 128' ' ' LEU . 22.3 mt -80.05 -64.2 1.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.4 t -173.42 168.99 4.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.5 p -127.9 113.68 16.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.512 HG21 ' HA ' ' A' ' 43' ' ' ALA . 39.7 t -102.78 127.24 56.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.118 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -57.35 124.03 17.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.9 HG21 ' HB1' ' A' ' 39' ' ' ALA . 71.9 p -118.98 34.82 5.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -47.8 -40.81 22.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.8 t -89.38 -34.87 16.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.409 ' C ' HG22 ' A' ' 35' ' ' THR . 2.6 mt -80.96 163.86 22.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.409 HG22 ' C ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -175.25 154.21 1.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.111 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.34 -149.01 30.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.533 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.411 ' HD3' ' CE2' ' A' ' 90' ' ' PHE . 54.2 Cg_endo -69.71 -7.29 20.67 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.37 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' A' ' 41' ' ' ALA . 15.7 tp60 -82.05 -65.56 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.9 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -34.37 -41.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.2 t -64.63 -45.57 95.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 38' ' ' GLN . . . -62.99 -21.93 66.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.081 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 -77.53 -57.92 3.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.512 ' HA ' HG21 ' A' ' 29' ' ' VAL . . . -38.86 -60.35 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.9 m -49.89 -50.2 46.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 m -51.63 -35.19 40.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.7 -29.02 24.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.104 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.36 -25.75 66.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.072 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.542 HD11 ' HD3' ' A' ' 98' ' ' ARG . 7.8 mt -93.87 -35.37 12.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.7 m -64.87 -53.07 52.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 30.2 t -43.91 137.34 3.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.521 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 37.1 p -149.27 132.4 8.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.685 0.755 . . . . 0.0 110.896 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.3 Cg_endo -69.74 149.51 88.65 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.674 -1.803 . . . . 0.0 112.323 0.012 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.9 ptp85 -40.69 145.27 0.54 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.646 0.736 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 146.75 61.09 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.693 2.262 . . . . 0.0 112.311 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.0 m -86.21 110.51 31.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.6 0.714 . . . . 0.0 111.131 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.516 ' CB ' HD11 ' A' ' 24' ' ' LEU . 53.4 Cg_endo -69.78 172.83 11.95 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.667 2.244 . . . . 0.0 112.332 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.32 140.97 25.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.5 t -81.83 126.86 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.9 m -139.41 157.57 27.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -76.98 143.5 39.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -128.54 142.69 50.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -146.77 141.25 26.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.7 t -119.28 113.26 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.0 t -140.65 178.65 7.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.826 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.01 -36.97 75.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.102 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -63.75 -10.39 19.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 120.66 -157.03 15.95 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.516 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.645 HG12 HD11 ' A' ' 88' ' ' ILE . 14.2 mm -92.91 149.44 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 111.139 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 m -133.37 117.26 17.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.48 128.93 54.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 94.1 m -135.73 135.01 39.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -122.17 159.82 26.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -112.89 -15.6 12.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -80.31 -33.26 37.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 59.56 36.26 22.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.9 mmmt -81.73 -63.44 1.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.9 mt -80.77 -48.29 12.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -162.34 178.38 8.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 80' ' ' ARG . 16.9 t80 -113.89 173.0 6.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 79' ' ' PHE . 7.7 ptm180 -34.53 143.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -157.99 140.09 14.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -102.69 138.98 38.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -111.8 125.62 29.99 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.629 0.728 . . . . 0.0 110.96 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.491 ' O ' ' N ' ' A' ' 86' ' ' ASN . 53.7 Cg_endo -69.74 122.49 9.17 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.718 2.279 . . . . 0.0 112.327 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.682 HG23 HD12 ' A' ' 149' ' ' LEU . 7.7 p -36.57 -29.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' A' ' 84' ' ' PRO . 11.2 m120 -63.44 -50.98 67.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.7 p -44.04 -51.62 7.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.645 HD11 HG12 ' A' ' 68' ' ' ILE . 13.5 mt -59.01 123.92 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.116 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.99 ' O ' HD21 ' A' ' 150' ' ' LEU . 37.3 p -124.92 -44.24 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.411 ' CE2' ' HD3' ' A' ' 37' ' ' PRO . 29.5 t80 -137.54 125.57 22.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.5 t -141.0 115.36 9.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.4 t -166.92 148.13 5.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.702 HG23 HG21 ' A' ' 142' ' ' VAL . 1.7 p -47.49 151.85 0.73 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -60.51 138.79 92.61 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.582 0.706 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -27.95 26.12 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -67.7 -29.08 68.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 22.7 t0 59.52 37.55 22.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.542 ' HD3' HD11 ' A' ' 48' ' ' LEU . 9.4 mtp85 -84.55 164.02 18.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -109.12 149.48 29.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.459 ' CD2' HD22 ' A' ' 26' ' ' LEU . 67.4 t-105 -113.68 110.96 21.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.1 m -73.94 90.89 1.97 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.135 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.423 ' HB2' HG22 ' A' ' 106' ' ' THR . 55.2 m-20 -41.8 155.47 0.23 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.616 0.722 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -3.1 11.34 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.715 2.277 . . . . 0.0 112.36 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -95.69 -40.5 9.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 132.14 60.6 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.536 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.423 HG22 ' HB2' ' A' ' 102' ' ' ASN . 7.1 t -166.19 158.13 13.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.898 0.38 . . . . 0.0 111.104 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 72.9 p -101.59 156.32 17.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 45.8 m -154.63 157.41 38.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -80.14 128.39 33.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 89.1 mt -81.58 143.81 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.519 ' CE1' ' HB3' ' A' ' 129' ' ' PHE . 4.3 p90 -160.17 164.24 33.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 179.35 170.54 41.32 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -134.99 158.56 44.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.885 0.374 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t -107.56 107.16 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -118.04 157.35 26.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.059 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 58.9 mttt -64.8 144.13 57.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -61.72 135.99 94.54 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.605 0.717 . . . . 0.0 110.868 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -1.48 8.56 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.716 2.278 . . . . 0.0 112.309 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -121.41 -19.49 3.47 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.432 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.445 ' HA ' ' HD2' ' A' ' 121' ' ' PRO . 4.7 m -144.85 105.09 4.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.704 0.764 . . . . 0.0 110.875 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.445 ' HD2' ' HA ' ' A' ' 120' ' ' SER . 53.5 Cg_endo -69.75 -4.5 14.15 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.731 2.287 . . . . 0.0 112.339 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 5.9 p90 -96.08 9.26 41.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -137.04 170.6 15.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 31' ' ' THR . 5.1 p30 -142.46 132.61 24.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -135.08 127.76 48.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.113 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 31.3 t -83.92 160.05 21.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -130.64 93.77 3.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.955 ' HG ' HD12 ' A' ' 26' ' ' LEU . 8.9 tp -49.78 156.86 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.519 ' HB3' ' CE1' ' A' ' 111' ' ' PHE . 17.7 m-85 -160.14 172.42 17.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.511 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -152.23 144.57 24.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.089 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.98 97.68 1.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.58 HD21 ' HB3' ' A' ' 22' ' ' SER . 0.6 OUTLIER -78.51 -24.28 45.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -105.39 119.53 52.55 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.595 0.712 . . . . 0.0 110.893 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -13.03 34.26 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.711 2.274 . . . . 0.0 112.345 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -68.22 -25.95 65.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -145.76 117.39 5.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.55 0.69 . . . . 0.0 110.953 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 162.12 43.31 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.643 2.229 . . . . 0.0 112.324 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.442 ' HA ' HD12 ' A' ' 141' ' ' ILE . . . -61.23 -45.28 95.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -46.11 -56.2 7.06 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.456 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -48.36 -33.55 9.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.768 0.318 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 138' ' ' ALA . 40.0 mt -74.46 -72.86 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.702 HG21 HG23 ' A' ' 93' ' ' THR . 6.3 m -43.7 -38.99 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 55.3 m -61.74 -48.1 82.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.159 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -62.52 -25.01 67.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 67.5 mt -70.87 -71.92 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.52 HG22 ' O ' ' A' ' 142' ' ' VAL . 0.1 OUTLIER -50.25 -38.36 40.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -55.39 -43.69 75.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 96.4 t -94.59 -63.08 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.682 HD12 HG23 ' A' ' 85' ' ' VAL . 3.9 mm? -51.24 -57.68 8.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.99 HD21 ' O ' ' A' ' 89' ' ' THR . 8.2 mt -85.24 11.62 9.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -90.06 -97.55 1.13 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.484 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -129.65 -67.69 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.772 0.32 . . . . 0.0 110.91 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -49.96 141.74 10.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -120.29 -44.2 2.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 8.7 t -144.17 166.97 23.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -143.66 -98.05 0.26 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.508 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 144.93 55.65 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.723 2.282 . . . . 0.0 112.332 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 51.8 p -62.45 134.43 56.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.2 t -86.43 90.26 8.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 15' ' ' LEU . 16.6 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.816 0.341 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.448 ' CZ ' ' HB3' ' A' ' 16' ' ' ARG . 9.0 mtp-105 -39.41 -38.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.414 ' O ' ' CZ ' ' A' ' 144' ' ' PHE . 27.2 mm-40 -94.59 130.22 41.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -140.66 142.47 12.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.22 121.4 36.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.783 0.325 . . . . 0.0 111.114 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.85 120.13 11.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.1 m -165.55 -178.67 5.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.829 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.478 ' HB2' ' CD2' ' A' ' 132' ' ' LEU . 5.5 m -82.37 144.53 30.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.2 m -127.32 178.09 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.078 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.604 HD11 ' HB2' ' A' ' 56' ' ' PRO . 3.2 tm? -109.21 110.79 22.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -78.75 108.81 12.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.568 HD11 ' HB2' ' A' ' 130' ' ' ALA . 85.6 mt -81.65 -72.96 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.966 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.444 ' O ' ' CB ' ' A' ' 128' ' ' LEU . 15.2 t -174.04 155.17 2.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 p -118.82 133.35 55.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 55.9 t -120.77 140.04 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -72.92 125.02 26.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.802 HG21 ' HB1' ' A' ' 39' ' ' ALA . 64.8 p -110.54 34.87 3.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 31' ' ' THR . 2.2 pt-20 -34.64 -43.85 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.4 t -100.39 -33.25 10.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -74.83 153.51 38.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.926 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 t -171.23 169.61 6.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.34 -155.3 53.01 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -4.56 14.29 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.655 2.236 . . . . 0.0 112.363 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -86.88 -49.61 7.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.932 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.802 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -45.39 -45.08 12.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.2 t -61.43 -30.59 48.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.47 -39.49 67.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.9 ttt85 -56.65 -66.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -38.4 -49.17 1.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.084 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.9 m -54.49 -49.49 70.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.4 t -62.76 -37.25 85.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.826 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.5 -16.17 58.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.09 -32.36 56.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.697 HD11 ' HG2' ' A' ' 98' ' ' ARG . 4.3 mt -97.88 -27.82 14.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.977 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 m -64.2 -52.27 59.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 50.1 t -71.65 137.42 47.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.493 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 1.5 m -139.22 160.79 60.8 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.619 0.724 . . . . 0.0 110.888 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.4 Cg_endo -69.84 155.12 93.63 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.3 0.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 52' ' ' PRO . 2.8 ppt_? -34.26 144.32 0.19 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.559 0.695 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 160.02 51.26 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.715 2.277 . . . . 0.0 112.32 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.3 m -103.69 94.31 6.06 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.544 0.688 . . . . 0.0 111.184 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.604 ' HB2' HD11 ' A' ' 24' ' ' LEU . 54.2 Cg_endo -69.73 153.03 69.57 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.653 2.236 . . . . 0.0 112.371 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.666 ' HB1' ' OE1' ' A' ' 74' ' ' GLN . . . -131.13 156.47 45.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.0 m -84.6 133.6 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.4 m -140.62 -175.69 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.167 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.431 ' N ' ' O ' ' A' ' 71' ' ' THR . 57.9 t-80 -104.0 148.53 26.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -136.33 131.21 34.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -136.6 133.0 35.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.4 t -107.05 108.23 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.6 m -133.06 156.25 47.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.91 -21.28 28.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.07 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -76.04 -3.35 35.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 124.79 -129.71 7.16 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.406 HG13 HD13 ' A' ' 88' ' ' ILE . 94.2 mt -137.88 121.76 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.378 . . . . 0.0 111.092 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.702 HG23 ' HB2' ' A' ' 82' ' ' HIS . 21.3 m -111.64 140.78 45.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.91 146.91 52.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 60' ' ' HIS . 44.3 m -148.93 131.52 15.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -110.05 171.03 7.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -126.92 10.23 6.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.666 ' OE1' ' HB1' ' A' ' 57' ' ' ALA . 12.2 pt20 -97.02 -34.03 11.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.429 ' NH1' ' HB2' ' A' ' 75' ' ' ARG . 25.8 mtm105 62.13 49.46 4.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.442 ' CE ' ' HA ' ' A' ' 76' ' ' LYS . 2.3 mmpt? -109.14 -70.62 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.6 mt -80.99 -28.99 35.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.931 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -169.28 172.53 7.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -108.84 -60.0 1.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.4 ' HE ' HG21 ' A' ' 71' ' ' THR . 74.0 mtt180 -151.29 124.98 9.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -142.5 143.83 32.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.702 ' HB2' HG23 ' A' ' 69' ' ' THR . 10.0 t60 -146.61 152.07 38.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -120.02 143.98 36.59 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.671 0.748 . . . . 0.0 110.918 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 153.96 68.04 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.626 2.217 . . . . 0.0 112.338 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.699 HG23 HD13 ' A' ' 149' ' ' LEU . 7.2 p -68.41 -19.71 24.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -75.21 -1.55 23.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.0 p -105.44 -63.96 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.406 HD13 HG13 ' A' ' 68' ' ' ILE . 24.5 mt -47.1 111.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.72 -26.89 8.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' ' 91' ' ' SER . 16.7 t80 -134.75 149.72 50.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.445 ' O ' ' CG2' ' A' ' 146' ' ' THR . 31.2 t -174.5 116.27 0.19 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.0 t -174.24 149.56 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.864 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.48 HG23 HG21 ' A' ' 142' ' ' VAL . 0.8 OUTLIER -44.01 142.66 1.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.111 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.484 ' OD2' ' N ' ' A' ' 97' ' ' ASP . 0.5 OUTLIER -49.1 139.18 13.07 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.629 0.728 . . . . 0.0 110.852 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -38.75 7.48 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.741 2.294 . . . . 0.0 112.378 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -64.0 -7.63 9.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.484 ' N ' ' OD2' ' A' ' 94' ' ' ASP . 17.5 t70 47.34 38.74 7.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.697 ' HG2' HD11 ' A' ' 48' ' ' LEU . 6.5 tpt180 -77.56 160.81 28.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.435 ' NH1' ' HD3' ' A' ' 109' ' ' LYS . 31.5 mmt180 -118.68 149.79 40.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 56.6 t-105 -110.69 104.36 13.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.0 m -71.05 96.16 1.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.173 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -52.66 158.41 2.15 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.597 0.713 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 0.98 4.86 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.314 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -92.79 -24.13 18.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 112.42 42.67 0.95 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.475 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 15.4 t -153.85 155.69 36.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.877 0.37 . . . . 0.0 111.125 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 40.9 p -102.48 153.64 19.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.5 m -142.87 149.07 38.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.435 ' HD3' ' NH1' ' A' ' 99' ' ' ARG . 12.2 tptm -66.7 128.11 35.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 61.8 mt -89.35 135.28 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -147.23 152.06 37.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.16 169.38 41.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -132.21 171.47 13.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.906 0.384 . . . . 0.0 110.886 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.4 t -123.4 126.2 72.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.156 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -139.6 163.35 32.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.085 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.88 133.03 34.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.474 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 4.4 ttmm -47.22 140.46 6.89 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.609 0.718 . . . . 0.0 110.881 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 53.5 Cg_endo -69.73 -12.96 34.04 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.714 2.276 . . . . 0.0 112.345 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -106.28 -19.82 9.68 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.509 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 29.8 m -149.51 118.3 3.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.693 0.759 . . . . 0.0 110.861 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -29.63 23.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.689 2.259 . . . . 0.0 112.387 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.409 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 33.8 p90 -78.9 -6.27 55.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.409 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 30.2 mt-10 -108.43 116.78 32.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 124' ' ' ASN . 0.3 OUTLIER -99.12 146.95 25.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -153.28 119.89 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.41 ' SG ' ' CG2' ' A' ' 31' ' ' THR . 7.4 p -89.64 149.16 22.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -115.98 115.05 25.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.444 ' CB ' ' O ' ' A' ' 27' ' ' THR . 8.8 tp -82.01 140.12 34.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -140.79 166.16 25.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.568 ' HB2' HD11 ' A' ' 26' ' ' LEU . . . -138.0 157.76 45.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -66.82 125.44 25.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.478 ' CD2' ' HB2' ' A' ' 22' ' ' SER . 7.1 tp -99.81 -52.99 3.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.921 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -115.55 147.47 38.91 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.621 0.724 . . . . 0.0 110.866 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -45.39 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.663 2.242 . . . . 0.0 112.364 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -43.56 -47.94 7.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -112.81 84.01 6.32 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 156.73 62.65 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.701 2.267 . . . . 0.0 112.357 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.65 ' O ' HG22 ' A' ' 142' ' ' VAL . . . -51.24 -49.74 60.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -49.69 -42.38 36.31 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.518 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -70.95 -21.46 62.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.742 0.306 . . . . 0.0 111.087 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 68.2 mt -83.94 -69.08 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.098 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.65 HG22 ' O ' ' A' ' 138' ' ' ALA . 2.0 m -47.23 -44.11 8.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 21.8 m -51.71 -63.27 1.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' PHE . . . . . 0.414 ' CZ ' ' O ' ' A' ' 17' ' ' GLN . 20.0 t80 -42.53 -37.42 1.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 45.7 mt -65.86 -59.2 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.11 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . 0.698 ' HA ' HD13 ' A' ' 150' ' ' LEU . 50.6 p -58.81 -15.36 11.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -84.41 -43.56 14.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.958 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 53.1 t -94.81 -70.4 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.699 HD13 HG23 ' A' ' 85' ' ' VAL . 3.9 mm? -38.72 -59.96 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.698 HD13 ' HA ' ' A' ' 146' ' ' THR . 6.1 mp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.5 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.83 0.348 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -38.47 -46.33 1.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -64.95 -50.92 64.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.04 137.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.11 120.53 31.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.831 0.348 . . . . 0.0 111.126 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.77 124.8 12.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.065 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.0 p -160.11 177.65 10.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.6 m -90.53 135.21 33.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.408 HG13 ' HB2' ' A' ' 61' ' ' PHE . 35.2 m -118.78 167.85 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.137 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.474 ' C ' HD13 ' A' ' 24' ' ' LEU . 3.1 tm? -100.99 113.6 26.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -83.05 103.47 12.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.633 HD12 ' HG ' ' A' ' 128' ' ' LEU . 52.9 mt -75.01 -72.92 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.957 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.8 t -165.78 -179.79 5.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.3 m -141.58 122.34 14.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.3 t -116.53 152.51 18.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.131 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -75.35 125.09 28.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 78.3 p -121.59 37.54 4.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.109 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -44.65 -46.61 10.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.26 -26.75 18.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.734 HD13 ' HB3' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -81.0 152.34 28.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.865 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 7.8 t -167.91 -175.68 2.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.427 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . 45.25 -144.25 2.95 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.402 ' HD2' ' HA3' ' A' ' 36' ' ' GLY . 53.6 Cg_endo -69.75 -1.85 9.17 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.734 ' HB3' HD13 ' A' ' 34' ' ' LEU . 11.9 mt-30 -86.35 -46.98 9.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.72 -53.23 60.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.068 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.6 t -57.99 -35.93 54.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.141 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.619 ' HB2' ' HG3' ' A' ' 95' ' ' PRO . . . -73.27 -29.34 62.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.093 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -69.24 -64.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.23 -58.12 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.491 ' HA ' HD21 ' A' ' 128' ' ' LEU . 1.2 p -55.85 -49.12 74.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.0 t -51.73 -44.53 63.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 48' ' ' LEU . . . -71.87 -58.93 3.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.112 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -38.04 -26.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 46' ' ' ALA . 13.4 mt -99.22 -43.58 6.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.1 t -66.45 -53.72 32.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -67.55 148.57 51.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.509 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 1.2 p -149.56 159.55 36.11 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.666 0.746 . . . . 0.0 110.888 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.7 Cg_endo -69.82 167.32 71.63 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.623 -1.824 . . . . 0.0 112.353 0.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.04 143.06 98.26 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.622 0.725 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 164.12 35.71 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.721 2.281 . . . . 0.0 112.331 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 99.7 m -99.47 102.33 16.1 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.627 0.727 . . . . 0.0 111.187 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 171.17 14.91 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.695 2.263 . . . . 0.0 112.358 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.67 153.44 38.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.1 t -83.64 131.6 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.159 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.589 HG12 ' CG ' ' A' ' 72' ' ' ASP . 25.6 m -142.08 173.59 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -93.59 150.04 20.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.408 ' HB2' HG13 ' A' ' 23' ' ' VAL . 16.6 t80 -135.05 139.15 44.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -150.87 150.2 30.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.3 t -134.75 117.03 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 t -142.77 -179.42 6.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.86 -14.66 35.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.08 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -91.48 14.87 13.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.71 -146.17 18.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.46 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.422 HG13 ' CD1' ' A' ' 88' ' ' ILE . 67.9 mt -103.78 142.52 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 111.147 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 54.5 m -133.98 136.1 43.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.175 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.4 mt -132.09 148.73 52.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.0 m -140.0 116.67 10.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.097 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.589 ' CG ' HG12 ' A' ' 59' ' ' VAL . 23.6 t0 -108.53 121.99 46.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -91.93 10.05 30.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -101.83 -18.41 15.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 52.8 mtt85 43.73 50.08 6.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.459 ' CE ' ' HA ' ' A' ' 76' ' ' LYS . 2.5 mmpt? -102.62 -63.33 1.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.483 HD22 ' N ' ' A' ' 77' ' ' LEU . 3.3 mm? -97.56 -47.45 5.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.525 ' CE1' HG11 ' A' ' 59' ' ' VAL . 22.7 p90 -147.77 121.19 9.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 79' ' ' PHE . 1.8 t80 -63.55 -72.43 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 32.3 ttt85 -145.54 122.52 11.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -124.85 135.05 52.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -120.07 122.85 42.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -111.35 127.93 26.14 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.707 0.765 . . . . 0.0 110.937 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.417 ' HG2' ' CB ' ' A' ' 87' ' ' SER . 54.1 Cg_endo -69.71 143.73 52.02 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.812 HG23 HD13 ' A' ' 149' ' ' LEU . 2.8 p -47.57 -45.56 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' A' ' 87' ' ' SER . 17.4 t30 -55.08 -61.98 1.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 86' ' ' ASN . 13.6 t -36.06 -40.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.824 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.422 ' CD1' HG13 ' A' ' 68' ' ' ILE . 69.2 mt -79.27 123.82 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 37.4 p -125.25 -24.3 4.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -139.33 138.5 36.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.472 ' O ' ' CG2' ' A' ' 146' ' ' THR . 4.1 t -165.98 112.3 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.6 t -161.88 149.67 14.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.716 ' N ' HG11 ' A' ' 142' ' ' VAL . 1.1 p -47.83 162.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -67.06 140.28 95.84 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.652 0.739 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.619 ' HG3' ' HB2' ' A' ' 41' ' ' ALA . 53.8 Cg_endo -69.71 -42.25 3.63 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.72 2.28 . . . . 0.0 112.327 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -63.49 -15.42 57.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 51.75 30.42 6.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? -69.75 156.35 39.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 -107.67 138.06 44.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 35.0 t-105 -100.64 123.27 44.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 22.6 m -81.0 100.8 9.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -54.45 151.79 13.4 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.657 0.741 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 2.38 3.58 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.341 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -99.17 -25.37 14.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 115.31 58.3 0.35 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.2 t -167.82 149.77 5.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.905 0.383 . . . . 0.0 111.127 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 46.5 p -94.88 150.18 20.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.9 m -146.99 169.48 19.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 68.6 tttt -86.42 148.57 25.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 75.2 mt -103.17 142.7 16.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.485 ' HB3' ' HB1' ' A' ' 138' ' ' ALA . 5.9 p90 -160.93 166.91 27.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 177.5 -170.22 42.6 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.487 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -148.86 166.43 28.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.9 0.381 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.7 t -116.38 114.19 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -118.26 153.72 33.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -80.64 145.8 31.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.52 ' HG3' HG23 ' A' ' 125' ' ' VAL . 20.2 mtpt -64.8 148.37 97.32 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 0.0 110.902 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -33.02 17.43 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.687 2.258 . . . . 0.0 112.355 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -103.23 -21.69 9.8 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.486 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 56.0 m -119.15 83.9 25.89 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.639 0.733 . . . . 0.0 110.894 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -2.11 9.64 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.665 2.243 . . . . 0.0 112.303 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 6.8 p90 -103.13 -4.74 24.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -115.23 165.15 13.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -127.12 141.95 51.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.52 HG23 ' HG3' ' A' ' 117' ' ' LYS . 48.5 t -135.13 115.16 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 42.8 t -95.9 144.52 26.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -117.15 127.06 53.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.633 ' HG ' HD12 ' A' ' 26' ' ' LEU . 10.2 tp -86.91 140.22 29.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -145.16 172.52 12.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.426 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -147.67 137.45 22.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.435 ' O ' ' CD ' ' A' ' 131' ' ' GLU . 3.0 pp20? -52.49 115.17 1.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 10.3 tt -83.15 -57.16 3.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.409 ' CG ' ' HD2' ' A' ' 134' ' ' PRO . 4.7 t70 -92.23 143.33 27.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.523 0.677 . . . . 0.0 110.866 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.409 ' HD2' ' CG ' ' A' ' 133' ' ' ASP . 54.1 Cg_endo -69.75 -48.37 0.74 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.647 2.231 . . . . 0.0 112.356 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.52 -39.47 34.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.832 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -118.86 82.07 20.23 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.711 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 178.02 4.95 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.722 2.281 . . . . 0.0 112.367 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.82 ' HA ' HD12 ' A' ' 141' ' ' ILE . . . -64.24 -48.88 74.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.083 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -48.88 -46.54 31.99 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.464 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.58 -23.95 67.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.811 0.339 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.82 HD12 ' HA ' ' A' ' 138' ' ' ALA . 41.0 mt -79.03 -72.01 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.716 HG11 ' N ' ' A' ' 93' ' ' THR . 3.1 m -39.52 -43.92 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.44 ' O ' ' CG ' ' A' ' 147' ' ' LYS . 98.9 m -58.27 -55.01 40.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' PHE . . . . . 0.42 ' O ' HG12 ' A' ' 148' ' ' VAL . 48.3 t80 -55.52 -27.67 50.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.448 HG23 ' HG ' ' A' ' 149' ' ' LEU . 60.7 mt -75.7 -71.77 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . 0.593 ' HA ' HD13 ' A' ' 150' ' ' LEU . 16.2 p -47.92 -20.51 0.32 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 143' ' ' THR . 21.8 mmtt -72.31 -52.61 15.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.581 HG13 ' N ' ' A' ' 149' ' ' LEU . 8.6 p -91.7 -49.97 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.093 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.812 HD13 HG23 ' A' ' 85' ' ' VAL . 3.9 mm? -52.92 -63.92 0.99 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.593 HD13 ' HA ' ' A' ' 146' ' ' THR . 6.5 mp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.538 HD21 ' HB2' ' A' ' 65' ' ' ALA . 8.0 mp . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.777 0.323 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.1 mtp85 -45.13 -47.41 12.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -68.34 -55.52 11.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.07 127.0 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.444 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.65 119.37 37.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.829 0.347 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.423 ' HB2' ' HG3' ' A' ' 62' ' ' LYS . . . -145.07 122.61 11.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.2 t -152.42 170.6 19.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.9 t -80.0 133.04 36.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.826 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.5 m -119.44 176.62 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.12 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.613 ' C ' HD13 ' A' ' 24' ' ' LEU . 3.3 tm? -106.96 116.75 32.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.952 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -85.1 121.38 27.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.448 HD21 ' HB2' ' A' ' 130' ' ' ALA . 13.0 mt -93.9 -70.09 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.4 t -169.38 172.85 6.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.3 p -135.81 122.72 21.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.3 t -104.82 149.42 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -73.59 118.99 17.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.687 HG21 ' HB1' ' A' ' 39' ' ' ALA . 52.2 p -113.63 40.84 2.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -42.66 -48.1 5.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.0 t -101.15 -22.95 14.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.691 HD12 ' HA ' ' A' ' 39' ' ' ALA . 0.4 OUTLIER -70.58 137.26 49.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 75.5 p -153.35 153.0 31.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.176 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.99 -142.72 29.98 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -25.13 28.73 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.71 2.274 . . . . 0.0 112.335 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.68 ' HB3' HD13 ' A' ' 34' ' ' LEU . 33.6 mt-30 -58.75 -50.57 73.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.691 ' HA ' HD12 ' A' ' 34' ' ' LEU . . . -50.82 -57.64 7.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.8 t -53.96 -39.61 41.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.624 ' HB2' ' HG3' ' A' ' 95' ' ' PRO . . . -68.93 -31.61 70.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.074 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.4 ttt85 -70.92 -58.8 3.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.645 ' HB2' ' SG ' ' A' ' 126' ' ' CYS . . . -42.32 -42.6 3.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.403 ' OG ' HD11 ' A' ' 128' ' ' LEU . 73.1 m -72.38 -54.64 8.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.7 m -43.92 -33.69 1.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 48' ' ' LEU . . . -82.81 -63.05 1.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.128 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -38.17 -26.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.104 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 46' ' ' ALA . 3.8 mt -99.22 -41.47 7.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 38.3 t -68.0 -53.55 25.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -67.14 148.21 52.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.533 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 6.2 m -145.95 156.62 51.3 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.648 0.737 . . . . 0.0 110.85 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.9 Cg_endo -69.75 176.02 34.21 Favored 'Cis proline' 0 C--N 1.341 0.139 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.315 -0.021 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.446 ' HD2' ' CH2' ' A' ' 100' ' ' TRP . 7.0 mtm105 -69.6 140.5 89.64 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.622 0.725 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 152.45 69.36 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.67 2.246 . . . . 0.0 112.34 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 47.9 m -87.78 110.03 31.65 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.589 0.709 . . . . 0.0 111.139 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 170.75 15.87 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.68 2.253 . . . . 0.0 112.381 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.0 144.36 22.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.538 HG12 HD12 ' A' ' 132' ' ' LEU . 6.6 m -82.66 133.81 28.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.7 m -144.42 165.82 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -79.85 153.5 29.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.824 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -144.99 133.65 22.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.423 ' HG3' ' HB2' ' A' ' 20' ' ' ALA . 16.4 ttpp -138.1 156.82 47.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.1 t -134.82 122.49 38.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.3 t -143.44 177.94 8.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.538 ' HB2' HD21 ' A' ' 15' ' ' LEU . . . -70.38 -27.64 64.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -72.01 -16.89 62.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 133.0 -134.48 7.56 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.5 mm -119.92 149.18 22.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.929 0.395 . . . . 0.0 111.104 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.2 m -138.66 116.39 11.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.174 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 18.9 mt -111.52 139.44 46.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 59.3 m -125.13 140.66 52.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.544 ' OD1' ' CZ ' ' A' ' 78' ' ' PHE . 7.6 m-20 -121.99 135.32 54.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -105.61 -45.29 4.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -65.89 -23.12 66.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 56.25 47.43 19.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt -89.2 -56.53 3.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -94.31 -45.89 7.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.544 ' CZ ' ' OD1' ' A' ' 72' ' ' ASP . 47.6 p90 -151.26 173.45 14.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -107.04 -74.05 0.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -135.97 141.56 44.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -155.41 119.94 4.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -115.07 127.65 55.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -118.75 143.21 33.13 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.677 0.751 . . . . 0.0 110.947 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -169.75 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.321 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.602 HG23 ' CD1' ' A' ' 149' ' ' LEU . 10.9 p -97.01 -17.73 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.158 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -77.19 -30.89 54.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.826 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.4 t -63.17 -47.06 84.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.0 mt -72.38 116.53 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.132 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.418 ' O ' HD11 ' A' ' 150' ' ' LEU . 17.3 p -111.17 -45.75 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -127.99 136.92 51.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.499 ' O ' ' CG2' ' A' ' 146' ' ' THR . 11.8 t -156.56 114.2 3.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.908 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.0 t -162.23 147.02 12.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.826 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.599 ' N ' HG11 ' A' ' 142' ' ' VAL . 2.6 p -44.04 169.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.133 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -63.53 133.46 95.52 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.651 0.738 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.624 ' HG3' ' HB2' ' A' ' 41' ' ' ALA . 53.7 Cg_endo -69.78 -23.47 30.67 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.729 2.286 . . . . 0.0 112.342 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -83.52 -14.71 51.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 57.54 30.12 18.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -73.77 159.54 32.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.82 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.9 mmt85 -113.2 148.49 35.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.446 ' CH2' ' HD2' ' A' ' 53' ' ' ARG . 57.8 t-105 -109.35 119.19 38.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 59.5 m -78.71 91.69 4.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -47.0 160.08 0.35 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.633 0.73 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 0.33 5.83 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.666 2.244 . . . . 0.0 112.358 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -93.8 -33.41 13.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 121.13 42.49 0.47 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.44 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.7 t -149.87 155.18 39.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.342 . . . . 0.0 111.172 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 25.3 p -94.41 156.24 16.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.0 p -153.24 150.83 29.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.44 ' HB3' ' CD ' ' A' ' 131' ' ' GLU . 33.4 tttt -73.01 134.89 44.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 25.4 mt -94.73 137.86 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.506 ' HB3' HG22 ' A' ' 93' ' ' THR . 11.8 p90 -151.71 151.22 31.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -162.76 172.38 38.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.466 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -134.2 157.65 45.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.893 0.377 . . . . 0.0 110.841 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 1.9 t -111.76 114.66 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.157 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -124.19 160.63 27.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -81.29 140.48 34.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.442 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 49.0 tttt -56.97 139.19 78.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.592 0.711 . . . . 0.0 110.896 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.442 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 53.6 Cg_endo -69.84 -8.16 22.9 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 2.27 . . . . 0.0 112.317 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -119.66 -35.23 0.93 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.518 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.2 m -119.15 98.13 50.69 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.659 0.742 . . . . 0.0 110.853 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.415 ' HD2' ' CZ3' ' A' ' 122' ' ' TRP . 53.9 Cg_endo -69.76 -8.49 23.74 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.671 2.247 . . . . 0.0 112.391 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.586 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 29.0 p90 -98.34 16.35 21.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.586 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 43.1 mt-10 -145.7 133.05 20.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -105.13 143.17 33.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 2.4 t -133.53 131.86 57.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.645 ' SG ' ' HB2' ' A' ' 43' ' ' ALA . 15.7 p -102.17 147.56 26.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -122.23 110.93 16.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.794 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.549 ' O ' ' CD1' ' A' ' 129' ' ' PHE . 6.6 tp -75.47 150.89 38.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 128' ' ' LEU . 28.2 m-85 -152.36 171.5 17.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.448 ' HB2' HD21 ' A' ' 26' ' ' LEU . . . -139.58 165.96 25.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.058 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.44 ' CD ' ' HB3' ' A' ' 109' ' ' LYS . 98.2 mt-10 -75.63 110.14 9.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.538 HD12 HG12 ' A' ' 58' ' ' VAL . 9.6 tt -80.57 -45.1 17.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.515 ' OD1' HD23 ' A' ' 132' ' ' LEU . 80.1 m-20 -122.21 146.59 47.21 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.599 0.714 . . . . 0.0 110.891 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -42.87 3.04 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -45.95 -48.89 16.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -111.0 86.47 6.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.599 0.714 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 161.57 45.43 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.676 2.25 . . . . 0.0 112.354 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.777 ' HA ' HD12 ' A' ' 141' ' ' ILE . . . -56.08 -48.46 76.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.083 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -51.13 -42.08 47.82 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.521 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.27 -21.54 66.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.752 0.311 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.777 HD12 ' HA ' ' A' ' 138' ' ' ALA . 34.1 mt -83.46 -73.28 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.599 HG11 ' N ' ' A' ' 93' ' ' THR . 3.4 m -40.66 -46.74 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.094 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 4.9 m -51.11 -63.83 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' PHE . . . . . 0.405 ' C ' ' CD1' ' A' ' 144' ' ' PHE . 6.1 t80 -53.68 -40.78 66.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 32.3 mt -54.52 -72.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . 0.593 ' CB ' HD23 ' A' ' 150' ' ' LEU . 6.4 p -54.76 -36.59 65.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.403 ' NZ ' ' HB3' ' A' ' 147' ' ' LYS . 0.8 OUTLIER -45.43 -60.96 1.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.804 HG13 ' CD2' ' A' ' 149' ' ' LEU . 5.0 p -81.58 -37.46 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.136 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.804 ' CD2' HG13 ' A' ' 148' ' ' VAL . 1.0 OUTLIER -70.22 -71.07 0.26 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.593 HD23 ' CB ' ' A' ' 146' ' ' THR . 2.3 mm? . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.5 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.848 0.356 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.3 mtp180 -46.89 -23.35 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -90.04 -56.03 3.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.26 155.16 1.81 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.529 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.95 123.55 40.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 111.078 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.58 ' HB2' ' HD2' ' A' ' 62' ' ' LYS . . . -146.95 121.08 9.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.058 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.0 t -160.83 171.71 18.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.5 m -86.28 136.26 33.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.1 m -125.14 169.08 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.161 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.606 ' C ' HD13 ' A' ' 24' ' ' LEU . 3.3 tm? -105.23 111.6 24.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -76.73 129.43 36.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.8 mt -98.6 -65.86 0.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.0 t -174.33 -179.88 1.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.1 p -138.12 115.57 11.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.554 HG21 ' HA ' ' A' ' 43' ' ' ALA . 85.4 t -106.82 105.58 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -46.28 128.34 9.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.729 HG21 ' HB1' ' A' ' 39' ' ' ALA . 46.8 p -117.16 37.28 3.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.169 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 31' ' ' THR . 6.5 pt-20 -35.09 -43.85 0.22 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.2 t -94.56 -42.52 8.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -68.45 158.33 33.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.409 ' N ' ' HB2' ' A' ' 39' ' ' ALA . 6.7 t -174.5 162.71 3.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.7 -155.54 37.39 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.533 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -11.19 30.32 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -84.07 -46.02 12.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.729 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -49.19 -34.33 14.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.9 t -66.99 -40.48 85.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.454 ' HB1' HE22 ' A' ' 96' ' ' GLN . . . -64.12 -48.41 76.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -44.32 -58.03 3.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.554 ' HA ' HG21 ' A' ' 29' ' ' VAL . . . -49.63 -40.96 41.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.0 m -64.6 -46.41 82.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 m -63.01 -42.11 99.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.02 -31.96 61.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.8 -32.37 72.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.3 mt -92.36 -40.51 10.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.0 t -67.22 -53.17 32.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 43.2 t -52.38 140.82 21.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.546 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 10.7 m -147.71 153.52 43.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.613 0.721 . . . . 0.0 110.897 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 51' ' ' SER . 54.2 Cg_endo -69.77 138.33 48.54 Favored 'Cis proline' 0 C--O 1.231 0.167 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.351 -0.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 52' ' ' PRO . 12.1 ptt85 -33.82 141.25 0.23 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.651 0.739 . . . . 0.0 110.876 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 167.98 22.87 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.72 2.28 . . . . 0.0 112.315 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 84.7 m -107.0 109.76 63.25 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.588 0.708 . . . . 0.0 111.139 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.482 ' HB2' HD11 ' A' ' 24' ' ' LEU . 53.1 Cg_endo -69.84 174.94 8.83 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.679 2.252 . . . . 0.0 112.294 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.26 145.26 20.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.095 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.412 HG12 HD12 ' A' ' 132' ' ' LEU . 24.8 m -80.63 136.7 22.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.152 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.5 m -144.58 178.94 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -101.16 142.19 32.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -119.1 147.19 44.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.58 ' HD2' ' HB2' ' A' ' 20' ' ' ALA . 20.0 tptt -147.39 135.8 21.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.6 t -121.03 106.6 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.9 t -134.51 -179.94 5.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.49 -23.37 62.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -74.78 -12.97 60.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.11 -115.7 2.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.518 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 68.3 mt -143.55 133.35 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.902 0.382 . . . . 0.0 111.123 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.7 m -118.82 121.77 40.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.7 mt -116.2 143.36 45.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 37.4 m -140.5 144.85 36.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.084 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -130.17 143.23 50.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -83.9 -57.78 3.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.49 ' NE2' ' H ' ' A' ' 74' ' ' GLN . 3.9 mp0 -68.95 -14.11 62.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 74' ' ' GLN . 26.0 ptt180 34.77 39.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.3 mttm -57.77 -37.81 74.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.8 mt -113.69 -48.39 2.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -144.2 126.75 15.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.58 ' CD2' ' HB2' ' A' ' 80' ' ' ARG . 57.8 t80 -74.93 -73.05 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.58 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 12.0 ttm-85 -121.39 146.53 46.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -164.9 122.46 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -127.44 135.14 50.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -115.33 148.86 41.73 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.65 0.738 . . . . 0.0 110.944 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 170.66 16.06 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.329 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.65 HG23 HD13 ' A' ' 149' ' ' LEU . 11.0 p -77.14 -23.5 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -74.78 -50.25 17.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.0 p -39.43 -58.51 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 35.4 mt -57.7 108.37 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.182 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.9 p -102.9 -40.12 6.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.174 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -135.17 149.95 50.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.488 ' O ' ' CG2' ' A' ' 146' ' ' THR . 15.9 t -165.06 123.23 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.835 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.1 t -174.17 147.29 1.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.736 HG23 HG21 ' A' ' 142' ' ' VAL . 6.9 p -41.31 156.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -58.64 138.98 86.1 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.568 0.699 . . . . 0.0 110.844 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.447 ' CG ' ' HB2' ' A' ' 41' ' ' ALA . 53.8 Cg_endo -69.74 -51.26 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.717 2.278 . . . . 0.0 112.347 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.454 HE22 ' HB1' ' A' ' 41' ' ' ALA . 1.1 mp0 -58.28 -26.45 63.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.4 t70 65.2 32.61 9.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -73.63 165.14 25.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -110.17 163.87 13.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 61.7 t-105 -126.65 105.4 8.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.9 m -72.01 96.99 1.8 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.176 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -51.4 156.41 2.09 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.643 0.735 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -0.63 7.17 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.67 2.247 . . . . 0.0 112.366 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -96.95 -23.01 16.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 111.38 61.87 0.48 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.528 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.1 t -168.72 149.28 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.903 0.382 . . . . 0.0 111.099 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 42.4 p -92.42 146.05 23.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.1 p -141.64 146.91 36.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.425 ' HD3' ' N ' ' A' ' 110' ' ' ILE . 1.0 OUTLIER -69.54 143.0 53.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.425 ' N ' ' HD3' ' A' ' 109' ' ' LYS . 87.5 mt -99.95 140.47 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.151 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.523 ' CG ' ' HB1' ' A' ' 138' ' ' ALA . 10.7 p90 -162.9 155.75 19.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -172.79 -171.34 37.47 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.412 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 4.1 p90 -142.99 164.86 28.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.897 0.38 . . . . 0.0 110.875 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 10.9 t -106.72 111.38 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.17 163.42 19.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -85.26 154.82 21.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -62.37 154.36 72.14 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.543 0.687 . . . . 0.0 110.931 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -51.13 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -90.03 -14.51 59.07 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.9 m -120.74 88.21 43.44 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.638 0.732 . . . . 0.0 110.872 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -3.77 12.7 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.677 2.251 . . . . 0.0 112.322 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 13.8 p90 -105.26 -0.01 26.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -111.52 168.62 9.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -128.15 141.94 51.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.9 p -152.1 107.04 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.167 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 12.1 t -81.27 145.33 30.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 -115.6 124.56 51.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.9 tp -89.21 149.99 22.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 111' ' ' PHE . 33.3 m-85 -146.21 169.85 17.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.541 ' HB3' HD12 ' A' ' 24' ' ' LEU . . . -136.73 160.94 37.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.1 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -66.82 130.66 43.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.423 HD23 ' C ' ' A' ' 132' ' ' LEU . 7.7 tt -109.81 -51.04 2.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.439 ' CG ' ' HD2' ' A' ' 134' ' ' PRO . 1.8 t70 -112.28 141.27 24.76 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.605 0.717 . . . . 0.0 110.852 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 133' ' ' ASP . 54.0 Cg_endo -69.82 -25.37 28.39 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.671 2.247 . . . . 0.0 112.343 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.78 -43.88 91.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . 0.422 ' HA ' ' HD2' ' A' ' 137' ' ' PRO . 15.6 mm100 -111.14 94.35 20.94 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.583 ' HG2' ' HB2' ' A' ' 140' ' ' ALA . 54.0 Cg_endo -69.79 141.04 44.05 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.68 2.253 . . . . 0.0 112.354 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.523 ' HB1' ' CG ' ' A' ' 111' ' ' PHE . . . -38.43 -48.47 1.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -57.54 -38.88 89.58 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.583 ' HB2' ' HG2' ' A' ' 137' ' ' PRO . . . -62.27 -16.65 55.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.692 0.282 . . . . 0.0 111.067 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' ' 138' ' ' ALA . 57.7 mt -87.7 -73.75 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.811 ' HA ' HD12 ' A' ' 145' ' ' ILE . 3.2 m -41.88 -38.16 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 86.9 m -56.31 -69.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -39.28 -38.32 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.811 HD12 ' HA ' ' A' ' 142' ' ' VAL . 37.3 mt -64.36 -67.2 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 91' ' ' SER . 58.2 p -53.19 -22.94 7.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -75.31 -41.72 56.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.448 ' O ' ' C ' ' A' ' 149' ' ' LEU . 79.7 t -96.7 -70.96 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.08 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.65 HD13 HG23 ' A' ' 85' ' ' VAL . 4.0 mm? -34.29 -70.65 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 30.6 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.879 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.9 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.873 0.368 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -42.4 -42.95 3.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -58.04 -55.6 32.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.61 107.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.453 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.39 122.61 41.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.842 0.353 . . . . 0.0 111.104 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.621 ' HB2' ' HG3' ' A' ' 62' ' ' LYS . . . -146.47 128.33 15.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.3 m -157.53 171.48 20.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.0 m -80.4 131.44 35.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.1 m -115.9 173.74 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.691 HD11 ' CB ' ' A' ' 56' ' ' PRO . 2.5 tm? -108.98 112.97 25.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.403 ' N ' HD13 ' A' ' 24' ' ' LEU . 50.8 t80 -85.22 100.35 11.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.723 HD12 ' HG ' ' A' ' 128' ' ' LEU . 41.1 mt -66.56 -67.07 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.6 t -173.01 165.59 5.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.7 p -126.5 126.26 43.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.6 t -111.34 142.83 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -73.27 115.97 13.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.686 HG21 ' HB1' ' A' ' 39' ' ' ALA . 71.4 p -112.47 38.78 2.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.186 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -39.4 -49.29 2.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.4 t -92.73 -37.29 12.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.873 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -66.94 135.19 53.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.5 p -146.02 173.87 11.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.45 -153.34 43.45 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -5.33 15.99 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.345 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -80.82 -40.21 25.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.686 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -59.49 -51.78 68.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.0 t -53.2 -44.16 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.404 ' HB2' ' HG3' ' A' ' 95' ' ' PRO . . . -58.14 -47.18 84.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.143 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.1 ttt85 -48.04 -56.27 8.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.478 ' HB2' ' SG ' ' A' ' 126' ' ' CYS . . . -45.28 -45.5 12.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.4 m -70.53 -63.35 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.7 m -40.96 -41.97 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.42 -39.74 62.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.063 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.89 -29.25 59.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.7 mt -99.08 -40.23 8.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.9 m -64.24 -51.62 62.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -73.88 153.61 39.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.51 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 1.5 m -151.47 160.79 31.25 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.636 0.731 . . . . 0.0 110.893 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.2 Cg_endo -69.81 177.55 28.61 Favored 'Cis proline' 0 C--O 1.231 0.156 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.32 0.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.529 ' HD2' ' CH2' ' A' ' 100' ' ' TRP . 17.5 mtm180 -62.0 143.02 95.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.582 0.706 . . . . 0.0 110.845 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 162.23 42.91 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.651 2.234 . . . . 0.0 112.381 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 94.1 m -100.66 99.17 9.46 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.586 0.708 . . . . 0.0 111.164 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.691 ' CB ' HD11 ' A' ' 24' ' ' LEU . 54.1 Cg_endo -69.73 152.57 69.5 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.736 2.29 . . . . 0.0 112.324 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -131.06 157.59 42.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.3 t -91.85 126.82 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.153 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.728 HG12 ' OD1' ' A' ' 72' ' ' ASP . 34.0 m -139.6 152.64 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -69.07 156.63 38.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -145.8 132.95 20.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.621 ' HG3' ' HB2' ' A' ' 20' ' ' ALA . 34.2 tttp -140.9 145.26 35.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.49 HG11 ' CD2' ' A' ' 144' ' ' PHE . 77.2 t -121.71 111.71 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.1 t -141.57 174.44 10.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -57.21 -59.41 5.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.075 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -39.93 -25.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . 137.0 -135.45 7.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.466 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.424 HD12 ' CD1' ' A' ' 88' ' ' ILE . 86.9 mt -123.43 131.08 73.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.905 0.383 . . . . 0.0 111.128 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.0 m -116.91 140.56 49.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.9 mt -133.79 136.99 44.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 93.5 m -127.42 147.9 50.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.728 ' OD1' HG12 ' A' ' 59' ' ' VAL . 9.4 t70 -131.56 144.63 51.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -105.98 -43.62 4.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 20.6 mp0 -69.44 -12.08 61.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 43.64 40.99 3.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.1 mttp -65.95 -45.93 80.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.6 mt -119.53 -45.44 2.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -143.89 168.82 19.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -107.33 -60.37 1.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.837 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -145.08 142.35 29.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -159.52 122.69 3.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -122.75 119.31 30.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.826 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -92.77 149.24 37.53 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.672 0.749 . . . . 0.0 110.917 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 85' ' ' VAL . 53.2 Cg_endo -69.76 131.28 20.9 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.263 . . . . 0.0 112.328 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.632 HG23 HD13 ' A' ' 149' ' ' LEU . 14.5 p -35.95 -35.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 87' ' ' SER . 2.8 m120 -64.83 -52.69 55.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 86' ' ' ASN . 14.5 t -34.94 -58.77 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.424 ' CD1' HD12 ' A' ' 68' ' ' ILE . 19.3 mt -57.04 118.16 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 43.1 p -119.04 -47.74 2.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.095 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -122.96 122.69 39.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.6 t -146.19 112.02 5.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.821 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.8 t -164.76 149.09 9.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.976 HG23 HG21 ' A' ' 142' ' ' VAL . 16.8 p -44.17 145.84 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.153 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.435 ' CG ' ' HD2' ' A' ' 95' ' ' PRO . 2.1 t70 -47.36 140.8 7.05 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.587 0.708 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.435 ' HD2' ' CG ' ' A' ' 94' ' ' ASP . 54.2 Cg_endo -69.76 -31.4 20.62 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.722 2.281 . . . . 0.0 112.336 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -75.07 -9.88 58.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 44.16 37.4 1.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -84.46 159.55 20.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -103.97 154.42 19.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.533 ' CD1' HD21 ' A' ' 26' ' ' LEU . 68.7 t-105 -118.45 109.79 16.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.5 m -62.66 105.09 0.6 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.08 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -61.74 161.5 20.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.63 0.728 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 2.95 3.07 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.69 2.26 . . . . 0.0 112.362 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -99.6 -39.49 8.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 142.65 -23.52 2.33 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.3 t -90.19 157.33 17.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.372 . . . . 0.0 111.132 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 68.4 p -98.86 155.81 17.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.158 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.3 p -134.54 163.78 28.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -84.17 127.05 33.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 89.6 mt -81.25 131.65 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.473 ' CD1' ' HB1' ' A' ' 138' ' ' ALA . 7.2 p90 -153.5 161.61 42.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 177.04 164.42 30.77 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.438 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -122.34 169.8 10.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.865 0.364 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 18.4 t -114.03 115.85 50.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.95 140.06 52.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.065 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -66.45 151.91 46.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.474 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 14.7 ttmm -69.76 139.58 88.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 0.0 110.92 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 54.0 Cg_endo -69.74 3.23 2.88 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.717 2.278 . . . . 0.0 112.353 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -126.2 -29.22 0.95 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.503 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.6 m -125.3 97.14 37.83 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.692 0.758 . . . . 0.0 110.85 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.429 ' HG2' ' CE3' ' A' ' 122' ' ' TRP . 54.2 Cg_endo -69.79 -13.51 34.69 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.429 ' CE3' ' HG2' ' A' ' 121' ' ' PRO . 15.2 p90 -92.61 7.02 45.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -125.61 177.39 6.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -146.16 135.05 22.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 71.4 t -127.06 118.31 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.478 ' SG ' ' HB2' ' A' ' 43' ' ' ALA . 15.2 p -87.15 148.34 25.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -122.01 118.56 29.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.723 ' HG ' HD12 ' A' ' 26' ' ' LEU . 8.8 tp -84.29 140.26 31.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -146.34 174.03 11.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -156.41 130.91 8.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.48 ' HB3' ' N ' ' A' ' 138' ' ' ALA . 3.6 pt-20 -46.57 103.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.407 HD23 ' C ' ' A' ' 132' ' ' LEU . 10.4 tt -73.47 -51.97 15.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -88.23 138.27 30.65 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.596 0.712 . . . . 0.0 110.875 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -43.18 2.79 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.673 2.249 . . . . 0.0 112.332 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -44.99 -46.74 11.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . 0.423 ' HA ' ' HD2' ' A' ' 137' ' ' PRO . 12.6 mm100 -114.9 108.26 48.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.605 0.717 . . . . 0.0 110.902 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 136' ' ' GLN . 54.1 Cg_endo -69.74 170.78 15.75 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.698 2.265 . . . . 0.0 112.36 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.651 ' HA ' HD12 ' A' ' 141' ' ' ILE . . . -66.69 -43.63 83.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -54.21 -52.6 42.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.501 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -47.89 -30.64 4.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.771 0.319 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.651 HD12 ' HA ' ' A' ' 138' ' ' ALA . 26.3 mt -75.17 -72.51 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.976 HG21 HG23 ' A' ' 93' ' ' THR . 3.8 m -40.3 -41.99 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 88.5 m -58.88 -56.34 23.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' PHE . . . . . 0.49 ' CD2' HG11 ' A' ' 63' ' ' VAL . 64.1 t80 -58.45 -33.4 69.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.65 HD12 ' HA ' ' A' ' 142' ' ' VAL . 90.1 mt -57.33 -73.17 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . 0.611 ' CB ' HD13 ' A' ' 150' ' ' LEU . 22.0 p -53.19 -37.88 62.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.176 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -44.78 -61.14 1.7 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.707 HG13 ' CD2' ' A' ' 149' ' ' LEU . 7.1 p -81.1 -40.42 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.707 ' CD2' HG13 ' A' ' 148' ' ' VAL . 2.2 mm? -65.17 -70.99 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.611 HD13 ' CB ' ' A' ' 146' ' ' THR . 8.1 mp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.859 HD21 HG22 ' A' ' 148' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.837 0.351 . . . . 0.0 110.926 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.64 -48.68 49.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.474 ' HG2' ' N ' ' A' ' 18' ' ' GLY . 2.0 pt20 -72.68 -37.2 67.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.474 ' N ' ' HG2' ' A' ' 17' ' ' GLN . . . 62.91 149.5 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.506 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.6 123.03 42.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.874 0.369 . . . . 0.0 111.098 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -147.52 119.34 8.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.6 m -155.82 170.82 21.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -79.8 155.9 27.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.473 HG13 ' HB2' ' A' ' 61' ' ' PHE . 20.6 m -140.79 175.73 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.136 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.554 ' C ' HD13 ' A' ' 24' ' ' LEU . 2.9 tm? -108.63 110.49 21.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.436 ' HE2' HD13 ' A' ' 77' ' ' LEU . 44.1 t80 -81.55 104.64 12.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.739 HD12 ' HG ' ' A' ' 128' ' ' LEU . 74.0 mt -75.05 -65.84 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.924 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.4 t -174.87 160.04 2.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.7 p -119.85 116.0 24.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 52.3 t -103.84 142.18 18.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.15 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -72.16 117.96 14.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.667 HG21 ' HB1' ' A' ' 39' ' ' ALA . 65.9 p -114.24 37.11 3.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.168 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -38.11 -48.66 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 t -93.47 -34.1 13.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.849 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -71.85 139.85 49.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.959 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.2 t -154.01 165.66 35.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.67 -151.95 46.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.466 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -21.25 33.77 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 0.0 112.323 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -66.08 -46.45 77.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.667 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -53.32 -41.91 66.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.042 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.5 t -62.06 -48.67 87.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.18 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.44 -46.64 73.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.096 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.5 ttt85 -55.59 -64.1 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.23 -38.06 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.7 m -71.01 -42.34 69.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.3 t -64.95 -40.51 95.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.825 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.4 -33.98 75.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.079 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.14 -43.78 94.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.3 mt -76.32 -38.55 55.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.4 t -64.59 -50.29 67.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 36.9 t -44.01 138.64 2.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.504 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 27.8 m -149.59 127.92 5.92 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.693 0.759 . . . . 0.0 110.823 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.9 Cg_endo -69.68 140.39 60.03 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.342 -0.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.1 ptp85 -41.27 147.18 0.47 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.58 0.705 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 148.42 64.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.656 2.237 . . . . 0.0 112.332 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.6 m -90.8 114.25 60.73 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.624 0.726 . . . . 0.0 111.13 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.548 ' CB ' HD11 ' A' ' 24' ' ' LEU . 53.9 Cg_endo -69.76 174.93 8.79 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.725 2.283 . . . . 0.0 112.377 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.08 154.1 37.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.085 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.7 m -90.03 132.62 34.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.9 m -143.79 171.92 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -92.5 140.78 29.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.473 ' HB2' HG13 ' A' ' 23' ' ' VAL . 6.7 t80 -125.51 121.61 34.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -129.96 140.42 50.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 80.4 t -128.2 111.85 25.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.108 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.4 t -139.22 -175.55 4.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.27 -23.38 62.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.082 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -76.63 -11.25 59.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.4 ' HA2' HD11 ' A' ' 149' ' ' LEU . . . 116.35 -120.42 4.86 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.431 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.5 mt -134.24 132.24 55.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.899 0.38 . . . . 0.0 111.098 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.5 m -118.56 140.09 50.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 56.1 mt -130.63 141.9 50.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.3 m -143.52 121.44 12.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.447 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 15.6 t70 -105.61 122.33 45.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -101.17 20.75 15.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 75' ' ' ARG . 25.7 mm-40 -111.33 -7.73 14.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 74' ' ' GLN . 58.2 mtm180 37.25 44.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -93.85 -56.41 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.436 HD13 ' HE2' ' A' ' 25' ' ' TYR . 13.7 mt -106.68 -44.97 4.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.447 ' CZ ' ' HB2' ' A' ' 72' ' ' ASP . 2.5 p90 -142.38 174.53 10.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -108.43 -58.67 1.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.0 mtp85 -140.66 154.95 46.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -165.35 126.53 1.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -141.02 133.15 27.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.419 ' OH ' ' CE1' ' A' ' 127' ' ' HIS . 17.4 m-85 -111.99 143.73 29.31 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.737 0.78 . . . . 0.0 110.908 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 149.11 66.58 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.653 2.235 . . . . 0.0 112.36 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.658 HG23 HD13 ' A' ' 149' ' ' LEU . 14.4 p -54.92 -18.53 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 87' ' ' SER . 10.4 t30 -79.08 -60.18 2.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 86' ' ' ASN . 10.6 t -36.14 -49.79 0.68 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 13.0 mt -60.74 123.96 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 81.8 p -124.37 -44.34 2.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -126.98 151.52 48.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.426 ' O ' ' CG2' ' A' ' 146' ' ' THR . 16.4 t -169.74 119.2 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.4 t -168.82 152.1 5.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.76 HG23 HG21 ' A' ' 142' ' ' VAL . 15.6 p -52.32 149.34 5.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -52.74 142.54 32.79 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.569 0.7 . . . . 0.0 110.855 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.447 ' HG2' ' NE2' ' A' ' 96' ' ' GLN . 54.0 Cg_endo -69.78 -34.11 15.18 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.683 2.256 . . . . 0.0 112.344 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.447 ' NE2' ' HG2' ' A' ' 95' ' ' PRO . 28.3 mp0 -76.17 -16.39 59.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 43.14 46.38 5.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -81.88 175.09 10.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -110.86 145.38 38.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 41.1 t-105 -108.36 102.72 11.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.1 m -72.51 94.66 1.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.174 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -50.11 160.59 0.66 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.665 0.745 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -7.08 20.13 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.342 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -88.25 -39.16 14.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 127.73 41.42 0.29 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.0 t -143.21 148.4 36.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.937 0.398 . . . . 0.0 111.125 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.8 p -95.21 156.78 16.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 67.0 m -158.67 156.03 29.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 47.6 tttt -69.24 159.74 32.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 60.1 mt -119.65 139.66 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.431 ' HB3' ' HB1' ' A' ' 138' ' ' ALA . 5.8 p90 -160.95 171.63 18.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 172.16 162.14 23.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -118.5 167.38 11.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.89 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.7 t -117.43 114.63 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.05 148.41 44.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -79.41 153.73 29.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.946 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.471 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 10.3 ttmm -71.01 139.76 85.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.587 0.708 . . . . 0.0 110.886 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 53.8 Cg_endo -69.71 -9.88 27.21 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.724 2.283 . . . . 0.0 112.353 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -119.6 -15.91 5.23 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.461 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.406 ' HA ' ' HD2' ' A' ' 121' ' ' PRO . 73.2 m -134.08 96.23 16.16 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.643 0.735 . . . . 0.0 110.861 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 120' ' ' SER . 54.0 Cg_endo -69.76 -1.36 8.34 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.678 2.252 . . . . 0.0 112.351 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.581 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 36.2 p90 -112.44 -0.36 15.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.581 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 69.0 mt-10 -120.09 106.91 12.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -80.6 142.1 34.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 45.7 t -130.76 111.83 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.112 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 2.7 t -90.64 143.56 26.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . 0.419 ' CE1' ' OH ' ' A' ' 83' ' ' TYR . 28.3 m-70 -117.54 124.62 49.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.739 ' HG ' HD12 ' A' ' 26' ' ' LEU . 13.5 tp -87.28 148.3 25.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.536 ' CD1' ' O ' ' A' ' 128' ' ' LEU . 42.1 m-85 -154.91 168.61 26.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.408 ' HB2' HD11 ' A' ' 26' ' ' LEU . . . -141.85 150.11 41.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.404 ' O ' ' CD ' ' A' ' 131' ' ' GLU . 2.7 pp20? -60.35 113.39 2.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.487 HD23 ' C ' ' A' ' 132' ' ' LEU . 9.5 tt -84.72 -47.18 10.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.496 ' HB2' ' CG ' ' A' ' 136' ' ' GLN . 4.2 m-20 -94.87 139.75 22.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.589 0.709 . . . . 0.0 110.869 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -50.8 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.719 2.279 . . . . 0.0 112.341 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -51.99 -36.61 50.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.847 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . 0.496 ' CG ' ' HB2' ' A' ' 133' ' ' ASP . 5.9 pt20 -113.68 96.27 40.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.598 0.714 . . . . 0.0 110.946 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 162.33 42.45 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.677 2.252 . . . . 0.0 112.338 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.731 ' HA ' HD12 ' A' ' 141' ' ' ILE . . . -46.05 -49.14 16.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -49.79 -55.9 13.18 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.526 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -42.59 -25.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.752 0.311 . . . . 0.0 111.079 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.731 HD12 ' HA ' ' A' ' 138' ' ' ALA . 23.7 mt -81.12 -70.93 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.76 HG21 HG23 ' A' ' 93' ' ' THR . 14.3 m -45.61 -44.48 4.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.417 ' N ' HG23 ' A' ' 142' ' ' VAL . 43.4 m -50.81 -53.26 33.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -58.79 -43.21 90.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.729 HD12 ' HA ' ' A' ' 142' ' ' VAL . 80.7 mt -52.04 -73.66 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . 0.541 ' HA ' HD13 ' A' ' 150' ' ' LEU . 44.3 p -48.83 -40.94 31.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.087 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -53.55 -41.05 66.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.859 HG22 HD21 ' A' ' 15' ' ' LEU . 94.8 t -94.44 -62.84 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.658 HD13 HG23 ' A' ' 85' ' ' VAL . 3.5 mm? -48.16 -69.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.541 HD13 ' HA ' ' A' ' 146' ' ' THR . 6.6 mp . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.414 HD21 HG21 ' A' ' 148' ' ' VAL . 30.1 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.789 0.328 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.9 ttm-85 -67.96 -36.52 80.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -65.27 -48.59 72.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.53 129.01 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.452 ' HB3' ' CD2' ' A' ' 144' ' ' PHE . . . -127.39 121.45 30.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.336 . . . . 0.0 111.125 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.17 124.3 15.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.9 p -150.19 -178.05 6.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 m -88.39 140.52 29.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.509 HG13 ' HB2' ' A' ' 61' ' ' PHE . 32.7 m -124.42 152.42 30.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.118 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.528 ' C ' HD13 ' A' ' 24' ' ' LEU . 3.4 tm? -98.62 108.39 21.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.457 ' HE2' HD21 ' A' ' 77' ' ' LEU . 39.7 t80 -77.76 125.31 29.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.726 HD12 ' HG ' ' A' ' 128' ' ' LEU . 32.9 mt -96.28 -67.01 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.6 t -169.87 -178.45 2.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.6 p -141.96 120.46 12.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.0 t -113.67 115.55 50.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -50.93 131.13 26.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.842 HG21 ' HB1' ' A' ' 39' ' ' ALA . 18.6 p -118.18 35.89 4.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.099 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 31' ' ' THR . 0.5 OUTLIER -33.79 -45.71 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 t -95.26 -35.2 11.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 31' ' ' THR . 1.7 mm? -72.62 151.68 42.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -170.48 156.23 5.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.78 -153.96 35.27 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.429 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 3.26 2.88 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.709 2.272 . . . . 0.0 112.321 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -96.99 -40.05 9.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.842 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -56.72 -42.14 78.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.088 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.5 t -59.72 -33.43 52.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 42' ' ' ARG . . . -67.64 -61.03 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 41' ' ' ALA . 37.5 ttt180 -35.94 -59.76 0.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.18 -60.2 1.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.4 m -54.43 -56.83 14.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.3 t -48.29 -34.14 9.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.19 -39.95 46.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.89 -31.1 66.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.4 mt -97.74 -38.64 9.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.2 t -64.28 -52.31 59.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -76.8 148.15 36.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.509 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 1.5 m -149.97 160.84 32.83 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.687 0.756 . . . . 0.0 110.849 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.9 Cg_endo -69.77 147.1 83.98 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.723 -1.782 . . . . 0.0 112.351 0.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.4 ptt-85 -39.58 144.59 0.48 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.607 0.718 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 162.59 41.46 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.754 2.303 . . . . 0.0 112.354 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.4 m -99.76 109.09 54.45 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.551 0.691 . . . . 0.0 111.142 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 173.1 11.45 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.723 2.282 . . . . 0.0 112.356 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.48 155.24 42.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.09 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.7 t -92.79 126.1 45.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.673 HG12 ' HB3' ' A' ' 72' ' ' ASP . 30.2 m -142.12 179.56 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -103.47 165.12 11.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.509 ' HB2' HG13 ' A' ' 23' ' ' VAL . 12.4 t80 -143.14 138.81 30.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -144.25 136.54 26.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.9 t -117.68 115.83 49.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.157 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.0 m -139.17 179.78 6.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.813 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.91 -19.5 62.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.11 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -79.42 -20.5 47.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 132.96 -154.3 21.09 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 41.4 mt -103.11 143.46 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.884 0.374 . . . . 0.0 111.156 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.436 HG23 ' HB2' ' A' ' 82' ' ' HIS . 7.0 m -133.29 134.5 43.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.148 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.7 mt -127.58 106.99 9.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 56.8 m -106.85 139.55 41.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.673 ' HB3' HG12 ' A' ' 59' ' ' VAL . 6.9 p-10 -131.42 143.67 50.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -111.42 19.55 18.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -97.39 -38.6 9.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.8 mtp180 56.14 30.79 17.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -100.67 -68.25 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.457 HD21 ' HE2' ' A' ' 25' ' ' TYR . 55.6 tp -75.51 -43.62 48.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.501 ' CE1' HG11 ' A' ' 59' ' ' VAL . 4.5 p90 -162.43 -179.45 6.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.416 ' CG ' ' N ' ' A' ' 80' ' ' ARG . 37.2 t80 -118.15 171.15 8.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.416 ' N ' ' CG ' ' A' ' 79' ' ' PHE . 19.6 ttt-85 -40.36 144.12 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 33.3 mtp180 -147.87 120.05 8.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.436 ' HB2' HG23 ' A' ' 69' ' ' THR . 4.8 t60 -112.64 142.42 45.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.507 ' CD1' ' N ' ' A' ' 83' ' ' TYR . 0.3 OUTLIER -128.85 145.48 56.59 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.644 0.735 . . . . 0.0 110.978 -179.856 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 170.33 16.79 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.731 2.287 . . . . 0.0 112.319 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.723 HG23 ' CD1' ' A' ' 149' ' ' LEU . 11.7 p -86.3 -12.78 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 39.6 m-20 -82.02 -18.47 43.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.7 t -84.2 -38.87 20.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 13.4 mt -75.26 116.95 18.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 32.9 p -121.63 -36.94 2.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -121.24 145.18 48.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.0 t -170.89 113.34 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.4 t -165.8 146.33 6.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.913 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.867 HG23 HG21 ' A' ' 142' ' ' VAL . 4.0 p -46.39 150.17 0.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -53.53 141.9 42.78 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.539 0.685 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.476 ' HG2' ' NE2' ' A' ' 96' ' ' GLN . 53.6 Cg_endo -69.74 -40.58 5.19 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.652 2.234 . . . . 0.0 112.38 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.476 ' NE2' ' HG2' ' A' ' 95' ' ' PRO . 28.6 mp0 -71.76 -18.23 62.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 49.7 45.88 24.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -83.92 160.18 21.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 -102.03 148.42 25.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.499 ' CD2' HD22 ' A' ' 26' ' ' LEU . 50.1 t-105 -111.05 116.58 31.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.5 m -78.32 98.39 5.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -64.33 160.68 48.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.627 0.727 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -8.46 23.66 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.696 2.264 . . . . 0.0 112.379 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -88.95 5.69 42.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 75.63 59.07 3.62 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.459 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.0 t -163.34 162.76 25.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 0.0 111.152 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 10.7 p -108.48 154.69 21.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 45.6 p -149.47 161.08 42.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -79.36 138.57 37.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 69.0 mt -94.72 139.61 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.435 ' HB3' ' HB1' ' A' ' 138' ' ' ALA . 5.5 p90 -158.84 173.15 16.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 170.48 170.58 34.94 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.417 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 2.5 p90 -128.44 159.26 35.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.6 t -106.62 116.79 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.182 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -129.82 146.41 51.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -66.89 149.21 50.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.477 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 28.9 ttmt -60.35 139.85 91.84 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.534 0.683 . . . . 0.0 110.901 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.477 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 53.3 Cg_endo -69.8 -8.79 24.5 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.705 2.27 . . . . 0.0 112.331 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -120.73 -3.66 10.99 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.463 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.3 m -158.24 105.0 1.7 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.64 0.733 . . . . 0.0 110.882 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -8.07 22.65 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.642 2.228 . . . . 0.0 112.364 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.535 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 8.4 p90 -97.18 3.83 51.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.535 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 18.4 mt-10 -121.73 127.32 50.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.46 138.37 39.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.2 p -152.21 112.9 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 41.8 t -85.85 156.69 20.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -118.25 120.61 38.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.726 ' HG ' HD12 ' A' ' 26' ' ' LEU . 10.5 tp -77.53 143.83 38.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.428 ' CD1' ' O ' ' A' ' 128' ' ' LEU . 24.2 m-85 -152.19 172.84 15.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.516 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -144.56 155.17 43.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.079 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.52 102.86 0.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.444 ' C ' ' CD1' ' A' ' 132' ' ' LEU . 0.2 OUTLIER -57.69 -59.45 5.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.96 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -100.33 150.36 36.86 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.612 0.72 . . . . 0.0 110.904 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -41.76 3.99 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.67 2.247 . . . . 0.0 112.31 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -53.87 -41.08 67.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -108.4 89.17 5.66 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.573 0.702 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 156.46 63.28 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.692 2.262 . . . . 0.0 112.343 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.781 ' HA ' HD12 ' A' ' 141' ' ' ILE . . . -49.01 -49.34 41.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.12 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -48.58 -48.76 28.29 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.459 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.04 -19.86 5.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.743 0.306 . . . . 0.0 111.101 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.781 HD12 ' HA ' ' A' ' 138' ' ' ALA . 32.7 mt -85.86 -73.83 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.867 HG21 HG23 ' A' ' 93' ' ' THR . 3.7 m -43.98 -37.81 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 39.8 m -61.06 -57.22 13.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.193 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' PHE . . . . . 0.452 ' CD2' ' HB3' ' A' ' 19' ' ' ALA . 4.2 t80 -54.15 -35.43 62.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.704 HD12 ' HA ' ' A' ' 142' ' ' VAL . 65.1 mt -63.26 -72.21 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 44.9 p -50.06 -18.0 0.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.179 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 7.2 mtpp -74.36 -49.63 21.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.598 HG13 HD22 ' A' ' 149' ' ' LEU . 7.2 p -96.64 -49.74 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.723 ' CD1' HG23 ' A' ' 85' ' ' VAL . 4.3 mm? -55.58 -69.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 10.5 mp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.929 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.762 0.315 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.74 -41.27 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -70.44 -50.92 33.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.64 137.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.502 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.93 119.2 31.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.341 . . . . 0.0 111.063 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.51 121.23 13.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 p -156.03 167.67 29.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.7 m -79.14 133.98 36.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.0 m -119.81 178.45 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.723 HD11 ' HB2' ' A' ' 56' ' ' PRO . 2.3 tm? -108.58 113.58 26.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -89.31 95.96 10.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.562 HD22 ' CD2' ' A' ' 100' ' ' TRP . 48.6 mt -61.03 -66.9 0.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.6 t -172.74 165.09 5.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.164 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.3 t -117.95 115.73 25.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.581 HG21 ' HA ' ' A' ' 43' ' ' ALA . 74.0 t -102.08 129.25 53.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.168 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -65.24 117.6 8.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.614 HG21 ' HB1' ' A' ' 39' ' ' ALA . 76.5 p -118.3 37.43 4.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 31' ' ' THR . 11.0 pt-20 -34.81 -48.43 0.39 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.42 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 22.7 t -94.55 -38.7 10.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.849 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -66.42 134.78 53.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.457 HG22 ' ND2' ' A' ' 124' ' ' ASN . 58.9 p -143.48 -176.92 5.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.95 -148.1 13.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -29.32 23.75 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.655 2.237 . . . . 0.0 112.361 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -57.99 -40.39 80.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.614 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -65.87 -47.25 75.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.087 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.566 HG12 ' OD1' ' A' ' 94' ' ' ASP . 98.6 t -59.31 -44.2 91.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.173 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.489 ' HB2' ' HG2' ' A' ' 95' ' ' PRO . . . -60.9 -61.07 2.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.084 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 41' ' ' ALA . 14.3 ttt180 -36.95 -60.87 0.59 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.672 ' HB2' ' SG ' ' A' ' 126' ' ' CYS . . . -41.12 -51.75 3.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.074 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.447 ' OG ' HD11 ' A' ' 128' ' ' LEU . 17.0 m -59.76 -44.32 93.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 t -57.76 -43.61 85.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.85 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.12 -37.27 66.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.072 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.18 -34.6 64.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.046 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mt -98.85 -35.73 10.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.4 t -64.45 -52.33 58.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.841 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -73.04 146.83 45.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.517 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 3.8 m -149.87 157.75 37.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.702 0.763 . . . . 0.0 110.84 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.9 Cg_endo -69.71 130.25 16.24 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.724 -1.782 . . . . 0.0 112.331 -0.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.568 ' HD3' ' CH2' ' A' ' 100' ' ' TRP . 4.4 ptp85 -34.62 142.29 0.24 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.65 0.738 . . . . 0.0 110.854 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 145.47 57.38 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 98.1 m -77.11 116.43 57.36 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.595 0.712 . . . . 0.0 111.135 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.723 ' HB2' HD11 ' A' ' 24' ' ' LEU . 54.0 Cg_endo -69.78 148.33 64.7 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.396 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -124.7 142.28 51.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.104 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.452 HG13 ' O ' ' A' ' 58' ' ' VAL . 8.3 p -90.98 127.73 43.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.508 HG12 ' HA ' ' A' ' 72' ' ' ASP . 27.6 m -136.22 171.69 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -82.74 146.94 28.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.426 ' HZ ' HD11 ' A' ' 145' ' ' ILE . 10.9 t80 -128.08 121.1 28.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -130.75 133.12 45.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.1 t -113.08 98.82 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -127.69 176.63 7.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.58 -47.73 84.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -45.93 -33.67 3.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 142.5 -129.49 3.87 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.469 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.4 mm -122.46 138.46 52.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 0.0 111.167 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.8 m -126.36 142.4 51.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.183 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.5 mt -144.02 132.51 22.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.5 m -130.65 137.09 49.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.508 ' HA ' HG12 ' A' ' 59' ' ' VAL . 30.3 t0 -113.25 -48.52 2.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.4 m120 63.61 25.08 14.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -106.16 -21.67 13.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 54.78 45.56 26.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -118.04 -48.2 2.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mt -112.19 -44.9 3.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.542 ' CG ' ' O ' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -165.79 106.6 0.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 78' ' ' PHE . 54.9 t80 -36.67 -60.31 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.402 ' HD3' ' C ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -173.9 147.16 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.846 -179.896 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -145.84 134.29 21.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -111.89 137.58 49.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -116.63 145.3 35.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.689 0.757 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -175.86 1.29 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.69 2.26 . . . . 0.0 112.364 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.626 HG23 ' CD1' ' A' ' 149' ' ' LEU . 13.7 p -92.36 -30.42 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.178 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 87' ' ' SER . 4.6 m-20 -69.15 -57.01 5.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.483 ' O ' HG23 ' A' ' 89' ' ' THR . 94.9 p -35.99 -48.46 0.59 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.0 mt -59.36 129.16 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.138 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 87' ' ' SER . 30.4 p -132.91 -50.12 0.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -119.95 140.12 51.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.6 t -162.25 111.2 1.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.6 m -166.58 153.65 9.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.831 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.606 HG23 HG21 ' A' ' 142' ' ' VAL . 8.8 p -47.61 139.6 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.17 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.566 ' OD1' HG12 ' A' ' 40' ' ' VAL . 2.9 t70 -42.09 135.79 2.3 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.63 0.729 . . . . 0.0 110.856 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.489 ' HG2' ' HB2' ' A' ' 41' ' ' ALA . 53.5 Cg_endo -69.77 -6.6 18.98 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.322 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -95.34 -24.25 16.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 52.39 44.23 30.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.435 ' HB3' HD12 ' A' ' 110' ' ' ILE . 9.2 ttm180 -87.48 176.65 7.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -114.26 141.93 46.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.568 ' CH2' ' HD3' ' A' ' 53' ' ' ARG . 52.0 t-105 -108.02 102.61 11.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.9 m -69.62 92.53 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.16 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -48.65 156.13 0.91 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.642 0.734 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 0.08 6.19 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.742 2.295 . . . . 0.0 112.301 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -92.38 -43.48 9.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 134.25 41.01 0.16 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 29.3 p -146.53 164.79 31.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.895 0.378 . . . . 0.0 111.127 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.0 p -107.8 157.44 18.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 24.0 p -157.91 161.51 38.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -81.71 142.15 32.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.435 HD12 ' HB3' ' A' ' 98' ' ' ARG . 23.2 mt -98.77 126.46 51.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 129' ' ' PHE . 13.5 p90 -144.64 165.27 28.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 170.89 161.12 21.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -112.9 173.91 6.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 21.0 t -119.34 104.15 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.101 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -109.25 159.46 16.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.082 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -85.02 137.07 33.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.475 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 24.3 tttm -46.08 140.71 4.91 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.586 0.708 . . . . 0.0 110.878 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 54.0 Cg_endo -69.72 -14.34 36.06 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.728 2.285 . . . . 0.0 112.332 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -104.52 -34.4 3.6 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.513 ' HB3' ' CE2' ' A' ' 122' ' ' TRP . 74.5 m -131.71 121.12 17.95 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.64 0.733 . . . . 0.0 110.915 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.443 ' HD2' ' CZ3' ' A' ' 122' ' ' TRP . 53.7 Cg_endo -69.72 -28.11 25.83 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.71 2.273 . . . . 0.0 112.344 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.532 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 42.7 p90 -76.28 -22.96 54.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.532 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 21.9 mt-10 -96.8 116.87 29.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.457 ' ND2' HG22 ' A' ' 35' ' ' THR . 2.1 m-80 -98.92 139.43 34.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 93.0 t -125.76 115.54 43.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.672 ' SG ' ' HB2' ' A' ' 43' ' ' ALA . 12.7 p -80.16 130.45 35.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.864 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -105.84 108.95 20.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.447 HD11 ' OG ' ' A' ' 44' ' ' SER . 8.2 tp -81.51 150.79 28.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' A' ' 111' ' ' PHE . 51.3 m-85 -151.88 171.12 18.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -145.16 145.0 31.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.62 ' HG3' ' HB2' ' A' ' 138' ' ' ALA . 40.4 mt-10 -53.91 119.92 5.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 7.3 tp -88.18 -52.22 5.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.434 ' CG ' ' HD2' ' A' ' 134' ' ' PRO . 5.7 t70 -111.45 140.17 22.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.614 0.721 . . . . 0.0 110.915 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.434 ' HD2' ' CG ' ' A' ' 133' ' ' ASP . 53.9 Cg_endo -69.7 -25.55 28.76 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.06 -45.38 87.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -108.63 110.37 61.37 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.584 0.706 . . . . 0.0 110.911 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 151.73 68.81 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.659 2.239 . . . . 0.0 112.352 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.636 ' HA ' HD12 ' A' ' 141' ' ' ILE . . . -56.82 -39.1 73.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -55.39 -52.44 47.66 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.511 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -49.62 -36.07 23.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.79 0.329 . . . . 0.0 111.093 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.636 HD12 ' HA ' ' A' ' 138' ' ' ALA . 22.0 mt -70.84 -71.84 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.606 HG21 HG23 ' A' ' 93' ' ' THR . 15.5 m -46.05 -45.1 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.442 ' N ' HG23 ' A' ' 142' ' ' VAL . 98.4 m -58.6 -49.55 77.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -56.37 -44.59 80.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.475 ' O ' HD23 ' A' ' 149' ' ' LEU . 93.9 mt -51.28 -62.88 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . 0.5 ' HA ' HD13 ' A' ' 150' ' ' LEU . 58.9 p -59.02 -42.63 90.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.102 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -48.95 -43.74 40.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 91.8 t -91.3 -61.45 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.626 ' CD1' HG23 ' A' ' 85' ' ' VAL . 4.1 mm? -48.89 -70.9 0.08 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.5 HD13 ' HA ' ' A' ' 146' ' ' THR . 6.1 mp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.818 0.342 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.8 mmt-85 -52.33 -34.02 45.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -84.79 -74.89 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.94 140.63 3.32 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.53 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.12 119.7 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.782 0.325 . . . . 0.0 111.116 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -140.7 127.81 20.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.1 m -160.15 179.09 9.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 p -87.87 130.18 34.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.405 HG22 ' HB2' ' A' ' 61' ' ' PHE . 22.2 m -116.13 166.15 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.142 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.68 ' C ' HD13 ' A' ' 24' ' ' LEU . 1.3 tm? -98.55 117.2 32.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.675 ' N ' HD13 ' A' ' 24' ' ' LEU . 68.1 t80 -88.83 116.75 27.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.563 HD11 ' HB2' ' A' ' 130' ' ' ALA . 16.1 mt -89.06 -69.5 0.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.9 t -174.4 173.69 2.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.147 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.6 p -135.99 128.11 29.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.804 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.3 t -111.3 132.52 59.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -59.6 116.14 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.771 HG21 ' HB1' ' A' ' 39' ' ' ALA . 61.7 p -114.28 42.84 2.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.148 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -42.42 -50.5 5.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 t -91.66 -30.07 16.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -75.23 136.98 40.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.2 t -153.73 170.47 20.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.12 -156.77 53.57 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.449 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 2.23 3.73 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.717 2.278 . . . . 0.0 112.341 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -88.06 -48.02 8.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.771 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -52.16 -46.19 65.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.5 t -61.99 -23.92 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.431 ' HB2' ' HG3' ' A' ' 95' ' ' PRO . . . -79.83 -33.82 39.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.083 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 45' ' ' SER . 16.6 ttt85 -68.02 -60.1 2.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.31 -51.69 2.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 p -61.33 -32.82 72.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 49' ' ' SER . 5.5 t -62.29 -42.24 99.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.858 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.2 -30.35 54.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.093 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.74 -39.13 76.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.127 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mt -98.98 -34.44 10.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 45' ' ' SER . 45.2 t -65.37 -44.64 86.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 87.3 m -61.22 137.86 58.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.489 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 15.4 m -137.97 128.0 15.25 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.681 0.753 . . . . 0.0 110.852 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.8 Cg_endo -69.77 178.77 24.33 Favored 'Cis proline' 0 C--N 1.342 0.224 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.354 -0.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.7 mtt85 -83.8 150.26 58.69 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.623 0.725 . . . . 0.0 110.861 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 165.57 30.57 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.664 2.243 . . . . 0.0 112.337 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 93.8 m -105.45 118.63 55.17 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.578 0.704 . . . . 0.0 111.145 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.6 ' CB ' HD11 ' A' ' 24' ' ' LEU . 53.1 Cg_endo -69.79 177.73 5.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.254 . . . . 0.0 112.339 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.36 141.02 18.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.1 m -80.91 131.12 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.597 HG12 ' HB3' ' A' ' 72' ' ' ASP . 5.1 m -144.33 -179.61 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -95.34 159.14 15.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.405 ' HB2' HG22 ' A' ' 23' ' ' VAL . 38.4 t80 -144.25 143.84 31.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -151.33 152.76 33.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.416 HG11 ' CD2' ' A' ' 144' ' ' PHE . 41.0 t -132.27 110.47 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.8 m -132.43 -175.94 3.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.3 -18.26 60.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.045 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -82.62 -19.24 38.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.425 ' HA2' HD11 ' A' ' 149' ' ' LEU . . . 134.08 -143.8 15.58 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.533 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.1 mt -116.15 129.85 71.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 111.133 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.1 m -113.4 123.96 51.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.3 mt -119.73 130.49 55.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 58.1 m -145.69 136.17 24.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.159 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.597 ' HB3' HG12 ' A' ' 59' ' ' VAL . 0.6 OUTLIER -112.6 176.71 4.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.899 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.408 HD22 ' N ' ' A' ' 73' ' ' ASN . 1.9 m-80 -114.94 -17.02 11.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.51 -8.38 41.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 40.54 46.4 2.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.0 mmtm -80.48 -71.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.474 HD22 ' N ' ' A' ' 77' ' ' LEU . 3.5 mm? -73.7 -40.74 63.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.482 ' CD1' ' HB2' ' A' ' 81' ' ' ARG . 15.8 p90 -169.9 140.11 2.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -67.71 -66.99 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -123.99 146.17 48.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.482 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 18.6 ttm-85 -166.5 129.92 1.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -145.47 150.53 36.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -118.69 146.46 39.97 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.665 0.745 . . . . 0.0 110.924 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 147.75 63.62 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.679 2.253 . . . . 0.0 112.366 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.706 HG23 HD13 ' A' ' 149' ' ' LEU . 14.3 p -52.76 -32.35 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.158 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 87' ' ' SER . 30.6 t-20 -65.31 -63.77 1.02 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 86' ' ' ASN . 3.7 m -35.32 -47.5 0.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 50.2 mt -70.86 101.31 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.14 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 43.3 p -105.9 -22.46 12.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -140.76 150.09 42.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.0 t -171.13 114.86 0.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.8 p -167.76 155.15 8.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.931 HG23 HG21 ' A' ' 142' ' ' VAL . 28.7 p -46.34 159.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.115 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.415 ' CG ' ' HD2' ' A' ' 95' ' ' PRO . 7.9 t70 -65.23 139.63 97.61 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.589 0.709 . . . . 0.0 110.828 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.431 ' HG3' ' HB2' ' A' ' 41' ' ' ALA . 53.3 Cg_endo -69.77 -40.08 5.73 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 2.247 . . . . 0.0 112.313 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -55.62 -17.34 5.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.0 t0 49.48 33.42 5.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 70.2 mtt-85 -91.08 175.97 6.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.3 mmt85 -115.25 159.47 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 49.7 t-105 -110.16 112.9 25.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.2 m -70.7 95.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -49.1 156.12 1.02 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.601 0.715 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -0.15 6.52 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.703 2.269 . . . . 0.0 112.379 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -98.21 -31.28 12.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 126.3 28.28 1.02 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.44 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 75.0 p -129.45 171.99 11.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.854 0.359 . . . . 0.0 111.154 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.2 p -118.14 144.93 45.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.152 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.5 m -136.51 173.66 11.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -88.37 132.05 34.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 54.9 mt -90.76 138.38 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.415 ' O ' ' N ' ' A' ' 129' ' ' PHE . 8.0 p90 -157.99 166.94 31.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 176.18 -168.69 40.99 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -152.94 167.54 28.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.5 t -118.76 122.33 69.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.158 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -132.78 141.12 48.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.079 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 46.6 mttm -67.62 145.03 55.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.465 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 43.2 tttt -69.21 140.4 90.6 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.554 0.693 . . . . 0.0 110.934 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 54.0 Cg_endo -69.81 -24.93 28.91 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.669 2.246 . . . . 0.0 112.336 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -103.03 -29.38 5.8 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.466 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.498 ' HB3' ' CG ' ' A' ' 123' ' ' GLU . 59.1 m -120.76 82.53 34.78 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.645 0.735 . . . . 0.0 110.881 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -1.13 7.93 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.703 2.269 . . . . 0.0 112.379 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.428 ' CD1' ' HG2' ' A' ' 123' ' ' GLU . 15.6 p90 -98.13 7.18 46.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.498 ' CG ' ' HB3' ' A' ' 120' ' ' SER . 0.5 OUTLIER -149.2 134.95 18.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -93.81 150.83 20.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 41.8 t -134.85 133.16 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.9 t -109.7 141.72 41.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -113.97 112.58 23.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.422 ' HG ' HD12 ' A' ' 26' ' ' LEU . 10.6 tp -75.14 148.79 39.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 111' ' ' PHE . 36.5 m-85 -151.6 172.02 16.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.563 ' HB2' HD11 ' A' ' 26' ' ' LEU . . . -149.99 159.17 44.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.063 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.821 ' HG3' ' HB2' ' A' ' 138' ' ' ALA . 26.3 mt-10 -61.59 130.63 46.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.42 HD23 ' C ' ' A' ' 132' ' ' LEU . 10.3 tt -113.64 -48.21 2.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.431 ' CG ' ' HD2' ' A' ' 134' ' ' PRO . 4.4 t70 -110.79 141.08 23.37 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.547 0.689 . . . . 0.0 110.91 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.431 ' HD2' ' CG ' ' A' ' 133' ' ' ASP . 53.8 Cg_endo -69.72 -38.5 7.79 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.248 . . . . 0.0 112.375 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -43.99 -49.41 8.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -116.83 109.23 43.4 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.569 0.7 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 164.72 33.53 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.674 2.249 . . . . 0.0 112.327 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.821 ' HB2' ' HG3' ' A' ' 131' ' ' GLU . . . -63.12 -32.61 74.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -66.59 -40.21 94.08 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.79 -29.62 66.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.75 0.31 . . . . 0.0 111.109 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 82.9 mt -73.63 -71.13 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.156 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.931 HG21 HG23 ' A' ' 93' ' ' THR . 2.3 m -43.9 -49.13 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 86.3 m -51.73 -66.49 0.38 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.195 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' PHE . . . . . 0.416 ' CD2' HG11 ' A' ' 63' ' ' VAL . 12.6 t80 -39.56 -48.25 2.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.721 HD12 ' HA ' ' A' ' 142' ' ' VAL . 27.0 mt -54.52 -64.56 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . 0.593 ' HA ' HD13 ' A' ' 150' ' ' LEU . 45.1 p -53.67 -17.51 2.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.167 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -86.93 -43.55 12.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 42.9 t -94.84 -65.89 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.706 HD13 HG23 ' A' ' 85' ' ' VAL . 4.4 mm? -46.43 -46.75 18.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.95 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.593 HD13 ' HA ' ' A' ' 146' ' ' THR . 5.0 mp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.8 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.796 0.331 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.8 mtt-85 -52.93 -28.43 23.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -72.26 -67.81 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.36 131.26 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.18 122.68 41.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.788 0.328 . . . . 0.0 111.093 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.2 126.32 18.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.2 m -161.16 175.71 12.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.7 m -90.34 126.64 35.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.8 m -111.15 177.01 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.675 ' C ' HD13 ' A' ' 24' ' ' LEU . 2.0 tm? -106.14 114.1 28.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.537 ' N ' HD13 ' A' ' 24' ' ' LEU . 17.6 t80 -80.38 108.21 13.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.555 HD12 ' HG ' ' A' ' 128' ' ' LEU . 36.4 mt -78.47 -70.7 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.4 t -174.49 165.45 3.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.0 p -129.12 131.2 47.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.7 t -119.87 151.56 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.068 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -71.78 126.86 30.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.902 HG21 ' HB1' ' A' ' 39' ' ' ALA . 34.7 p -122.29 38.51 4.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.156 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 31' ' ' THR . 3.4 pt-20 -36.92 -60.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.46 -18.68 26.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.698 HD13 ' HB3' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -79.98 141.82 35.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.9 t -161.03 173.3 15.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.84 -144.23 46.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.483 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -7.66 21.61 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.711 2.274 . . . . 0.0 112.321 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.698 ' HB3' HD13 ' A' ' 34' ' ' LEU . 34.4 mt-30 -79.47 -59.37 2.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.902 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -45.01 -33.14 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.2 t -78.88 -29.94 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.499 ' HB2' ' HG3' ' A' ' 95' ' ' PRO . . . -80.86 -17.14 51.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 -80.88 -62.9 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.528 ' HB2' ' SG ' ' A' ' 126' ' ' CYS . . . -44.14 -47.45 9.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.6 m -51.89 -41.23 61.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.4 m -66.49 -42.93 86.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.55 -14.12 60.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.082 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.11 -31.29 27.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.2 mt -94.22 -40.32 10.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 50' ' ' CYS . 29.1 t -65.51 -51.96 56.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 49' ' ' SER . 2.8 t -35.49 151.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.487 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 1.7 t -162.1 126.63 2.03 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.661 0.743 . . . . 0.0 110.877 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 51' ' ' SER . 54.1 Cg_endo -69.75 142.37 69.86 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.715 -1.785 . . . . 0.0 112.337 -0.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -42.5 151.62 0.37 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.63 0.729 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 145.64 57.91 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.629 2.22 . . . . 0.0 112.37 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.3 m -90.71 111.18 46.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.591 0.71 . . . . 0.0 111.131 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.491 ' CB ' HD11 ' A' ' 24' ' ' LEU . 53.9 Cg_endo -69.76 170.68 16.0 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.677 2.251 . . . . 0.0 112.332 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.47 153.18 33.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.5 m -81.11 133.35 29.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.437 HG11 ' CE1' ' A' ' 78' ' ' PHE . 35.7 m -143.55 -176.35 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.196 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 -100.45 156.87 17.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.406 ' CE2' HG23 ' A' ' 141' ' ' ILE . 35.4 t80 -145.15 115.9 7.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -123.78 138.87 54.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 64.1 t -117.62 101.85 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 m -125.65 -179.47 4.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.89 -22.81 52.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.08 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -75.85 -16.21 60.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.421 ' HA2' HD11 ' A' ' 149' ' ' LEU . . . 134.59 -140.72 11.99 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.478 HG12 ' CD1' ' A' ' 88' ' ' ILE . 9.2 mm -118.08 130.44 72.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.863 0.363 . . . . 0.0 111.136 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.3 m -119.01 118.38 31.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.19 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -113.92 150.31 33.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.429 HG22 ' N ' ' A' ' 72' ' ' ASP . 45.1 m -145.53 155.41 43.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.429 ' N ' HG22 ' A' ' 71' ' ' THR . 36.2 t0 -138.97 145.08 39.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -96.57 -38.16 10.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 75' ' ' ARG . 53.1 mm-40 -83.51 1.37 42.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 74' ' ' GLN . 55.6 mtt180 34.61 40.69 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.5 mmtm -62.17 -65.83 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.433 HD22 ' N ' ' A' ' 77' ' ' LEU . 3.2 mm? -96.92 -51.85 4.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.437 ' CE1' HG11 ' A' ' 59' ' ' VAL . 42.6 p90 -132.16 148.75 52.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -93.05 -68.93 0.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -132.81 120.13 21.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -132.1 147.43 52.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -157.91 123.23 4.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -113.02 147.16 36.66 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.685 0.755 . . . . 0.0 110.943 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -173.65 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.313 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.841 HG23 HD13 ' A' ' 149' ' ' LEU . 12.8 p -96.39 -12.36 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -83.89 -18.57 37.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.428 ' O ' HG23 ' A' ' 89' ' ' THR . 53.6 p -77.29 -59.61 2.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.478 ' CD1' HG12 ' A' ' 68' ' ' ILE . 22.1 mt -56.59 129.4 18.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.428 HG23 ' O ' ' A' ' 87' ' ' SER . 52.7 p -126.82 -28.86 2.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -133.9 150.59 51.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.8 t -172.35 115.08 0.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.842 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.9 t -168.32 147.18 4.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.761 HG23 HG21 ' A' ' 142' ' ' VAL . 3.5 p -40.24 161.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.469 ' OD2' ' N ' ' A' ' 97' ' ' ASP . 15.6 t70 -58.19 133.92 84.46 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.665 0.745 . . . . 0.0 110.822 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.499 ' HG3' ' HB2' ' A' ' 41' ' ' ALA . 53.5 Cg_endo -69.82 -32.35 18.49 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.317 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 43.8 mm-40 -81.67 -11.23 59.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.469 ' N ' ' OD2' ' A' ' 94' ' ' ASP . 1.3 m-20 54.76 28.42 10.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -72.93 153.14 41.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -104.9 160.81 14.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 52.0 t-105 -124.3 120.71 32.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 60.7 m -80.57 94.88 6.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.108 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -46.75 159.49 0.37 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.657 0.742 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -4.94 15.07 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.659 2.24 . . . . 0.0 112.299 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -89.11 -33.19 17.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 122.91 52.27 0.21 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.475 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.0 t -163.9 151.58 12.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.359 . . . . 0.0 111.143 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 39.9 p -89.54 152.38 21.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.7 p -143.35 152.09 41.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.44 ' HD3' ' N ' ' A' ' 110' ' ' ILE . 5.0 tmtm? -70.4 132.41 45.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.44 ' N ' ' HD3' ' A' ' 109' ' ' LYS . 96.5 mt -91.21 140.19 16.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.686 ' CD1' ' HB1' ' A' ' 138' ' ' ALA . 3.9 p90 -161.47 164.56 29.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 177.06 -169.79 42.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.541 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -153.92 158.26 40.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.916 0.388 . . . . 0.0 110.871 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.0 t -102.46 126.14 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -131.73 148.56 52.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.107 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -78.44 136.75 37.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.47 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 64.3 tttt -56.88 139.79 77.4 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.606 0.717 . . . . 0.0 110.858 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 54.3 Cg_endo -69.76 -19.08 36.61 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.734 2.29 . . . . 0.0 112.355 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -110.59 -23.94 5.77 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.506 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.505 ' HB3' ' CG ' ' A' ' 123' ' ' GLU . 62.5 m -121.26 81.54 37.49 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.671 0.748 . . . . 0.0 110.875 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.46 ' HD2' ' CZ3' ' A' ' 122' ' ' TRP . 53.0 Cg_endo -69.84 -1.98 9.46 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.688 2.259 . . . . 0.0 112.313 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.509 ' CD1' ' HG2' ' A' ' 123' ' ' GLU . 36.1 p90 -91.39 -17.21 26.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.509 ' HG2' ' CD1' ' A' ' 122' ' ' TRP . 0.8 OUTLIER -122.6 179.05 4.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -136.42 153.93 50.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.4 t -140.04 140.82 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.528 ' SG ' ' HB2' ' A' ' 43' ' ' ALA . 26.0 p -102.55 158.01 16.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -133.94 101.47 5.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.573 ' O ' ' CD1' ' A' ' 129' ' ' PHE . 10.9 tp -71.79 151.8 43.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 128' ' ' LEU . 27.0 m-85 -153.97 165.45 36.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -135.32 139.75 44.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.503 ' HB3' ' HB2' ' A' ' 138' ' ' ALA . 2.1 pp20? -54.02 108.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 9.5 tt -79.06 -51.68 9.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -88.42 128.12 54.28 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.58 0.705 . . . . 0.0 110.833 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -35.63 12.1 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.653 2.235 . . . . 0.0 112.337 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -55.25 -28.56 54.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . 0.461 ' O ' ' CG ' ' A' ' 136' ' ' GLN . 8.2 pt20 -129.46 118.49 19.05 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.634 0.73 . . . . 0.0 110.882 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 149.41 66.65 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.648 2.232 . . . . 0.0 112.321 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.686 ' HB1' ' CD1' ' A' ' 111' ' ' PHE . . . -47.64 -28.06 2.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.123 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -66.89 -39.24 93.35 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -59.29 -14.28 10.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.748 0.309 . . . . 0.0 111.106 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.406 HG23 ' CE2' ' A' ' 61' ' ' PHE . 89.8 mt -89.15 -55.15 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.85 ' HA ' HD12 ' A' ' 145' ' ' ILE . 2.6 m -62.53 -32.98 57.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 54.6 m -61.23 -49.11 78.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.186 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -60.95 -34.14 74.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.85 HD12 ' HA ' ' A' ' 142' ' ' VAL . 64.5 mt -61.37 -66.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 54.0 p -52.85 -28.11 21.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -71.49 -42.67 67.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 33.2 t -93.64 -60.57 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.841 HD13 HG23 ' A' ' 85' ' ' VAL . 1.1 mm? -53.05 -65.83 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 6.2 mp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.912 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.1 mt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.778 0.323 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -48.18 -47.03 35.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -74.8 -62.91 1.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.36 145.33 0.39 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.451 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.22 122.07 36.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.821 0.343 . . . . 0.0 111.077 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.94 125.88 25.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.414 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 29.7 p -156.45 168.43 27.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.3 m -85.15 131.83 34.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.2 m -113.92 173.38 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.119 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.644 ' C ' HD13 ' A' ' 24' ' ' LEU . 1.5 tm? -105.29 109.75 21.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.487 ' N ' HD13 ' A' ' 24' ' ' LEU . 39.4 t80 -80.95 110.56 16.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.708 HD12 ' HG ' ' A' ' 128' ' ' LEU . 74.1 mt -80.07 -70.9 0.48 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.2 t -175.05 142.89 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 t -101.93 116.99 33.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.4 t -101.42 138.63 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.13 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -64.07 119.48 10.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.867 HG21 ' HB1' ' A' ' 39' ' ' ALA . 56.1 p -115.79 42.51 2.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.134 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -51.81 -47.02 64.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.3 t -87.93 -26.44 22.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.833 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mt -87.35 164.92 15.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.8 t -175.1 164.02 3.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.02 -133.27 36.86 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.481 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -46.14 1.33 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.661 2.241 . . . . 0.0 112.318 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 41' ' ' ALA . 1.0 OUTLIER -46.09 -66.41 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.917 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.867 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -36.19 -45.63 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.2 t -59.31 -41.35 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 38' ' ' GLN . . . -66.14 -47.9 72.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.5 ttt85 -48.68 -55.51 11.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.827 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.405 ' HB2' ' SG ' ' A' ' 126' ' ' CYS . . . -45.45 -56.09 5.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 p -61.16 -59.37 5.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -43.09 -39.66 2.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.0 -36.63 59.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.111 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.21 -36.93 66.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.626 ' N ' HD12 ' A' ' 48' ' ' LEU . 3.8 mp -95.72 -36.56 11.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 49.9 m -63.99 -53.23 53.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -73.85 146.8 43.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.533 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 21.7 p -147.73 153.95 43.54 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.678 0.751 . . . . 0.0 110.867 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.2 Cg_endo -69.71 162.9 83.04 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.344 -0.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.3 mtt85 -59.42 141.67 87.58 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.543 0.687 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 156.31 63.71 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.663 2.242 . . . . 0.0 112.358 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 48.2 m -94.46 112.69 58.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.595 0.712 . . . . 0.0 111.135 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.581 ' CB ' HD11 ' A' ' 24' ' ' LEU . 53.6 Cg_endo -69.75 166.22 28.33 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.711 2.274 . . . . 0.0 112.306 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -137.41 144.88 42.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 75.6 t -82.1 125.35 39.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.416 HG12 ' CG ' ' A' ' 72' ' ' ASP . 10.5 m -141.75 159.33 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -77.5 169.17 18.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.414 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 6.3 t80 -144.18 134.93 25.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.7 tptt -145.71 136.47 24.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.7 t -124.1 116.82 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.2 m -141.27 -175.83 4.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.7 -44.3 97.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.065 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -59.41 -20.29 53.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 133.12 -125.52 4.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.462 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 95.2 mt -130.51 137.58 55.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.914 0.388 . . . . 0.0 111.107 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.8 m -116.1 142.09 47.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.4 mt -139.06 147.49 42.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.1 m -145.28 117.24 8.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.416 ' CG ' HG12 ' A' ' 59' ' ' VAL . 29.6 t0 -110.94 137.91 47.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -80.83 -52.47 7.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 76' ' ' LYS . 23.2 mm-40 -73.53 -22.82 59.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 74' ' ' GLN . 43.2 ptt85 36.05 33.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 74' ' ' GLN . 28.4 mttm -56.23 -37.68 70.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -102.13 -38.88 7.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -166.63 154.58 9.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.59 ' CD2' ' HG3' ' A' ' 80' ' ' ARG . 32.7 t80 -101.73 169.55 8.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.84 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.59 ' HG3' ' CD2' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -34.53 134.4 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -144.86 124.81 13.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -100.81 120.07 39.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -108.43 141.39 23.13 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.715 0.769 . . . . 0.0 110.92 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 156.26 63.89 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.779 HG23 ' CD1' ' A' ' 149' ' ' LEU . 12.1 p -61.63 -26.93 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.172 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 87' ' ' SER . 2.4 t30 -63.91 -63.4 1.17 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 86' ' ' ASN . 59.7 m -36.55 -52.2 0.86 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.1 mt -62.94 93.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 70.5 p -102.19 -42.38 6.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -128.59 139.38 52.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.9 t -160.22 105.84 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.832 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.9 t -155.97 153.64 29.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.819 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.698 HG23 HG21 ' A' ' 142' ' ' VAL . 12.9 p -46.04 165.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.13 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -67.73 139.45 93.71 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.595 0.712 . . . . 0.0 110.874 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -29.57 23.34 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.626 2.217 . . . . 0.0 112.366 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -75.92 -24.82 55.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 42.0 t0 56.33 44.7 24.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -89.29 170.98 10.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.7 mmt85 -111.22 136.06 50.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.462 ' CD1' HD21 ' A' ' 26' ' ' LEU . 41.6 t-105 -98.48 104.55 16.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.8 m -70.36 95.77 1.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.16 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 -47.16 161.22 0.31 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.609 0.719 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 2.56 3.44 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.357 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -102.14 -29.53 11.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 122.76 18.18 3.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.516 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.7 p -115.4 155.89 26.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.909 0.385 . . . . 0.0 111.103 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 32.8 p -106.26 155.0 19.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.4 m -152.24 175.21 12.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -89.32 138.74 31.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 86.0 mt -95.58 132.32 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.42 ' O ' ' N ' ' A' ' 129' ' ' PHE . 4.5 p90 -154.54 168.36 26.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 168.62 157.27 11.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -114.04 168.91 9.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 17.0 t -118.38 117.48 54.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.56 149.09 43.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -73.07 153.7 40.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 46.1 tttt -73.75 133.75 79.25 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.528 0.68 . . . . 0.0 110.918 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -16.36 37.38 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.653 2.235 . . . . 0.0 112.359 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -104.0 -20.94 9.96 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.472 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.408 ' HA ' ' HD2' ' A' ' 121' ' ' PRO . 3.3 m -138.16 106.34 7.98 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 0.0 110.822 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 120' ' ' SER . 53.1 Cg_endo -69.82 -5.24 15.77 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.29 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.531 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 29.5 p90 -110.96 17.08 20.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.531 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 35.4 mt-10 -139.22 115.66 10.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.28 146.73 23.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 95.4 t -134.26 125.8 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.405 ' SG ' ' HB2' ' A' ' 43' ' ' ALA . 20.7 p -93.82 142.92 26.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -115.29 103.48 10.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.708 ' HG ' HD12 ' A' ' 26' ' ' LEU . 9.3 tp -67.89 152.61 45.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.42 ' N ' ' O ' ' A' ' 111' ' ' PHE . 36.7 m-85 -158.36 174.26 15.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -155.08 139.16 16.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.413 ' O ' ' CD ' ' A' ' 131' ' ' GLU . 2.2 pp20? -52.28 117.83 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.9 tt -91.52 -58.77 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -86.69 130.84 47.39 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.624 0.725 . . . . 0.0 110.852 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -12.25 32.59 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.36 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 136' ' ' GLN . 5.5 p-10 -73.8 -21.29 60.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . 0.476 ' N ' ' OD1' ' A' ' 135' ' ' ASP . 21.5 mm-40 -140.81 104.92 6.28 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.589 0.709 . . . . 0.0 110.941 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 136' ' ' GLN . 54.0 Cg_endo -69.69 144.1 53.32 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.66 2.24 . . . . 0.0 112.408 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -39.4 -49.48 2.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.1 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -45.69 -58.55 5.34 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.468 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -45.79 -39.01 7.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 67.3 mt -67.59 -69.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.698 HG21 HG23 ' A' ' 93' ' ' THR . 3.4 m -43.61 -46.23 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 30.6 m -59.35 -51.5 69.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.162 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -53.7 -36.82 62.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 92.0 mt -62.82 -73.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.091 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . 0.563 HG22 HD13 ' A' ' 150' ' ' LEU . 73.1 p -49.05 -32.38 9.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -55.2 -50.93 68.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.799 HG13 HD22 ' A' ' 149' ' ' LEU . 9.1 p -94.96 -53.2 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.799 HD22 HG13 ' A' ' 148' ' ' VAL . 3.9 mm? -51.72 -70.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.563 HD13 HG22 ' A' ' 146' ' ' THR . 6.7 mp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.762 0.315 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -32.28 58.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.474 ' HG2' ' N ' ' A' ' 18' ' ' GLY . 52.9 tt0 -64.91 163.51 14.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.474 ' N ' ' HG2' ' A' ' 17' ' ' GLN . . . -159.96 132.56 3.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.473 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.01 120.03 37.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.04 120.9 18.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.1 t -159.54 177.33 11.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.429 ' O ' HD22 ' A' ' 132' ' ' LEU . 35.0 m -88.34 129.16 35.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.2 m -115.06 179.45 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.685 HD12 ' HB3' ' A' ' 130' ' ' ALA . 3.5 tm? -111.69 123.91 51.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -95.11 116.64 28.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.441 HD22 ' CD2' ' A' ' 100' ' ' TRP . 19.9 mt -85.91 -71.11 0.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.3 t -174.19 150.77 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.2 p -115.15 114.39 25.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.9 t -98.98 123.87 51.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.185 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -53.0 129.15 29.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.934 HG21 ' HB1' ' A' ' 39' ' ' ALA . 16.1 p -119.53 36.32 4.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.094 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 31' ' ' THR . 12.2 pt-20 -35.66 -49.71 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.5 t -93.71 -27.57 16.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -76.69 139.97 40.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.4 p -151.15 166.53 30.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.79 -154.11 52.99 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.513 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -9.98 27.42 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.692 2.262 . . . . 0.0 112.319 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -79.07 -36.15 41.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.934 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -64.73 -26.16 68.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.075 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.601 HG12 ' OD1' ' A' ' 94' ' ' ASP . 57.5 t -79.2 -40.88 22.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.13 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.66 -49.04 76.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.093 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -46.89 -60.14 2.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.36 -53.61 2.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.075 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m -45.77 -63.67 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.86 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 m -47.03 -43.36 19.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.79 -28.04 68.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.084 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.86 -54.62 17.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.072 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.493 ' N ' HD12 ' A' ' 48' ' ' LEU . 6.4 mp -75.17 -32.11 61.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.923 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.9 t -64.89 -39.06 92.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 23.6 t -60.5 139.14 57.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.513 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 3.1 m -146.82 128.74 7.53 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.696 0.76 . . . . 0.0 110.887 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.6 Cg_endo -69.78 143.5 74.08 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.36 0.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 52' ' ' PRO . 23.3 ptt85 -34.45 151.08 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.562 0.696 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 149.9 67.37 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.311 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 37.4 m -95.04 104.96 16.54 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.613 0.721 . . . . 0.0 111.158 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 173.27 11.2 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.367 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.84 156.54 42.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.459 HG12 ' CD1' ' A' ' 132' ' ' LEU . 1.2 m -91.14 129.0 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.7 m -144.27 152.22 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -75.67 148.15 38.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -136.01 143.4 44.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -145.46 150.41 36.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.7 t -119.97 115.49 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.7 m -134.64 171.37 14.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.32 -33.19 75.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.142 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -66.8 -11.42 55.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 131.68 -126.92 4.85 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.476 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.5 mt -130.22 130.11 65.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.917 0.389 . . . . 0.0 111.132 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.5 m -111.26 136.63 50.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 55.6 mt -128.05 141.81 51.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 32.2 m -134.05 125.56 28.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -115.5 134.04 55.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -99.57 -30.67 12.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.424 ' O ' ' C ' ' A' ' 75' ' ' ARG . 37.1 mm-40 -78.74 -4.75 50.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 74' ' ' GLN . 68.6 mtp180 35.03 39.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -79.02 -50.39 11.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -98.39 -43.52 6.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -168.63 120.71 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -45.46 -69.13 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.848 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -143.67 156.75 44.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -163.96 130.93 3.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.845 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 37.6 t-80 -114.45 138.66 50.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -124.04 143.2 41.78 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.715 0.769 . . . . 0.0 110.911 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 172.2 13.12 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.713 2.275 . . . . 0.0 112.298 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.808 HG23 HD13 ' A' ' 149' ' ' LEU . 12.6 p -87.75 -21.09 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -74.11 -37.18 64.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.483 ' O ' HG23 ' A' ' 89' ' ' THR . 74.5 p -57.47 -51.6 68.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 50.6 mt -61.3 97.78 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.19 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 87' ' ' SER . 71.9 p -101.7 -10.04 20.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -157.54 147.68 20.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.518 ' O ' HG22 ' A' ' 146' ' ' THR . 4.8 t -172.8 110.12 0.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.85 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.1 t -161.16 146.61 14.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.821 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.643 HG23 HG21 ' A' ' 142' ' ' VAL . 0.8 OUTLIER -41.42 151.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.113 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.601 ' OD1' HG12 ' A' ' 40' ' ' VAL . 8.5 t70 -60.13 132.92 90.14 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.593 0.711 . . . . 0.0 110.845 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -43.78 2.46 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.678 2.252 . . . . 0.0 112.369 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -50.58 -19.95 1.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.2 t70 54.27 30.84 13.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -78.43 159.74 28.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 58.1 mmt-85 -107.73 153.19 23.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.441 ' CD2' HD22 ' A' ' 26' ' ' LEU . 64.1 t-105 -113.27 111.2 21.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.8 m -77.91 94.21 4.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.161 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -48.19 157.87 0.63 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.683 0.754 . . . . 0.0 110.835 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -2.82 10.83 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.711 2.274 . . . . 0.0 112.314 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -94.2 -39.02 10.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.873 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 129.81 45.32 0.17 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.522 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.7 p -146.55 152.45 38.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 111.15 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 72.4 p -102.8 150.78 23.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.3 m -151.47 166.03 32.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -83.24 151.32 25.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 62.9 mt -106.23 138.97 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.157 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 129' ' ' PHE . 7.1 p90 -156.28 164.62 38.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -179.25 -161.21 26.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.48 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 1.5 p90 -154.97 164.05 39.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 110.864 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 1.7 t -114.65 127.18 72.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.123 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -143.06 152.13 41.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 19.2 mttm -64.96 125.36 24.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.476 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 10.7 ttmm -40.99 139.98 1.15 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.579 0.704 . . . . 0.0 110.907 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 54.0 Cg_endo -69.78 -15.83 37.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.7 2.267 . . . . 0.0 112.358 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -107.01 -13.94 20.26 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.495 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.437 ' HA ' ' HD2' ' A' ' 121' ' ' PRO . 6.6 m -149.11 105.05 3.36 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.698 0.761 . . . . 0.0 110.806 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 120' ' ' SER . 53.4 Cg_endo -69.83 -21.4 33.24 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.294 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.513 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 33.0 p90 -84.31 18.75 2.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.934 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.513 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 36.2 mt-10 -141.24 169.81 16.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -137.73 143.55 41.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 2.4 p -150.62 112.21 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.126 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.451 ' SG ' HG22 ' A' ' 40' ' ' VAL . 48.9 t -82.61 138.69 34.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -106.1 109.12 20.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.3 tp -70.39 148.11 48.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.955 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' A' ' 111' ' ' PHE . 15.6 m-85 -147.24 173.08 12.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.685 ' HB3' HD12 ' A' ' 24' ' ' LEU . . . -145.58 156.1 43.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -64.93 129.11 38.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.459 ' CD1' HG12 ' A' ' 58' ' ' VAL . 8.3 tt -107.71 -45.09 4.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.68 141.54 26.88 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.616 0.722 . . . . 0.0 110.854 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -50.88 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.725 2.283 . . . . 0.0 112.379 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -42.59 -32.35 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -130.85 90.49 39.73 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.587 0.708 . . . . 0.0 110.858 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 177.54 5.47 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.696 2.264 . . . . 0.0 112.314 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.83 -48.84 51.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -51.83 -32.31 33.2 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -68.19 -26.99 66.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.723 0.296 . . . . 0.0 111.086 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 142' ' ' VAL . 58.1 mt -82.74 -73.62 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.169 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.643 HG21 HG23 ' A' ' 93' ' ' THR . 9.9 m -37.6 -40.14 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 5.8 m -56.25 -70.39 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' PHE . . . . . 0.683 ' CE1' HG21 ' A' ' 148' ' ' VAL . 11.7 t80 -42.96 -36.01 1.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 54.5 mt -63.6 -67.26 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . 0.631 HG23 ' O ' ' A' ' 142' ' ' VAL . 6.1 p -51.65 -30.5 21.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -71.01 -48.52 52.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.683 HG21 ' CE1' ' A' ' 144' ' ' PHE . 67.4 t -88.46 -69.37 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.808 HD13 HG23 ' A' ' 85' ' ' VAL . 2.2 mm? -44.23 -64.37 0.69 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 146' ' ' THR . 12.1 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.0 mt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.823 0.344 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -42.71 -40.33 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -52.27 -63.73 1.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.9 119.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.23 120.53 30.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.88 118.79 8.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.472 ' HB2' ' NE2' ' A' ' 136' ' ' GLN . 2.1 t -157.8 178.22 10.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 74.8 m -86.54 137.41 32.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.529 HG22 ' HB2' ' A' ' 61' ' ' PHE . 30.7 m -123.49 -177.05 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.177 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.649 ' C ' HD13 ' A' ' 24' ' ' LEU . 3.0 tm? -113.89 114.84 26.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.542 ' HA ' ' CD2' ' A' ' 129' ' ' PHE . 15.2 t80 -85.66 115.52 23.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.625 HD21 ' HB2' ' A' ' 130' ' ' ALA . 75.2 mt -82.17 -70.54 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.6 t -172.22 137.26 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.1 m -95.89 113.88 25.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.463 HG21 ' HA ' ' A' ' 43' ' ' ALA . 58.9 t -100.66 138.02 26.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.153 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -69.73 116.05 9.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.563 HG21 ' HB1' ' A' ' 39' ' ' ALA . 66.5 p -111.98 36.98 3.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.142 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 31' ' ' THR . 5.1 pt-20 -35.46 -49.43 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -92.03 -41.04 10.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -65.54 136.95 57.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -156.58 161.99 39.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.92 -154.6 43.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.494 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 53.3 Cg_endo -69.78 -1.86 9.21 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.301 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -88.94 -45.9 9.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.563 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -49.92 -46.02 51.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.0 t -53.0 -39.71 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.88 -57.99 8.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.2 ttt85 -39.85 -58.8 1.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.463 ' HA ' HG21 ' A' ' 29' ' ' VAL . . . -52.42 -45.01 65.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.075 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.614 ' OG ' HD11 ' A' ' 128' ' ' LEU . 3.3 m -66.78 -67.64 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.458 ' O ' ' CB ' ' A' ' 49' ' ' SER . 2.0 m -41.89 -36.15 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.61 -39.68 51.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.53 -34.7 59.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.087 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 mt -99.24 -36.69 9.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 45' ' ' SER . 30.8 t -63.87 -53.17 54.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -70.8 147.74 48.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.548 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 38.8 p -153.68 153.3 28.72 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.67 0.747 . . . . 0.0 110.859 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.1 Cg_endo -69.76 133.6 26.27 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.326 -0.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.2 ptp85 -41.78 148.88 0.43 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.621 0.724 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 171.71 14.02 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.708 2.272 . . . . 0.0 112.309 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 98.2 m -103.82 116.0 62.47 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.556 0.693 . . . . 0.0 111.162 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 -179.77 3.18 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.654 2.236 . . . . 0.0 112.322 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -157.55 152.17 25.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.427 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 90.4 t -91.39 114.67 29.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.7 m -127.03 174.16 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -93.08 141.12 28.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.529 ' HB2' HG22 ' A' ' 23' ' ' VAL . 14.2 t80 -122.74 138.81 54.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -150.1 150.42 31.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 71.7 t -136.21 118.16 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 67' ' ' GLY . 5.6 t -138.95 159.4 42.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -42.67 -25.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -84.63 23.32 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 64' ' ' SER . . . 92.04 -135.44 12.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.488 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.505 HD12 ' CE2' ' A' ' 113' ' ' PHE . 87.3 mt -119.63 146.25 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 111.152 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.8 m -130.39 120.07 23.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.197 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 35.4 mt -112.28 128.92 56.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.0 m -117.03 154.28 31.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 79' ' ' PHE . 10.0 t0 -138.12 148.98 45.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -111.34 -43.15 3.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.427 ' NE2' ' O ' ' A' ' 58' ' ' VAL . 0.8 OUTLIER -72.52 -10.75 60.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 74' ' ' GLN . 71.5 mtt180 36.32 47.28 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 47.3 mmtt -80.91 -41.37 23.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 mt -118.36 -38.57 3.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.439 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 26.8 p90 -158.8 139.25 12.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 72' ' ' ASP . 10.7 t80 -75.49 -73.17 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -142.34 126.86 17.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.853 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.4 mmt85 -121.76 125.96 47.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -116.35 128.4 55.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -118.82 141.4 29.99 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.668 0.747 . . . . 0.0 110.924 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 157.35 60.66 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.701 2.268 . . . . 0.0 112.318 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.522 HG23 HD13 ' A' ' 149' ' ' LEU . 1.5 p -61.34 -25.85 37.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.168 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -73.66 -45.06 54.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.5 m -45.52 -55.36 6.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.806 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 15.8 mt -63.06 112.04 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 76.5 p -100.85 -41.44 6.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 37' ' ' PRO . 39.9 t80 -133.02 157.38 45.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.1 t -153.23 112.44 3.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.409 ' C ' HG11 ' A' ' 142' ' ' VAL . 40.9 t -152.81 143.89 23.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.835 HG22 ' HB2' ' A' ' 111' ' ' PHE . 35.2 p -57.32 -79.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -150.15 120.46 3.86 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.587 0.708 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -22.69 31.78 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.716 2.277 . . . . 0.0 112.358 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -91.11 -31.42 16.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 30.2 t0 73.92 54.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.3 mmp_? -109.14 168.41 9.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -103.65 150.79 23.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.545 ' CE2' HD22 ' A' ' 26' ' ' LEU . 35.2 t-105 -102.83 109.58 21.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.2 m -78.49 91.5 4.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.178 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -49.86 157.24 1.09 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.611 0.72 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -7.42 21.0 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.679 2.253 . . . . 0.0 112.361 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -84.72 -34.56 22.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 123.98 39.04 0.51 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.536 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.0 t -143.7 161.45 38.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.841 0.353 . . . . 0.0 111.169 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.7 p -105.41 145.88 30.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 86.3 p -139.42 172.16 13.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -86.05 130.46 34.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 27.8 mt -85.98 137.36 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.835 ' HB2' HG22 ' A' ' 93' ' ' THR . 1.2 p90 -164.07 149.52 10.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -170.52 -170.67 35.08 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.505 ' CE2' HD12 ' A' ' 68' ' ' ILE . 4.0 p90 -147.55 172.48 13.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.902 0.382 . . . . 0.0 110.859 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.401 HG22 ' SG ' ' A' ' 126' ' ' CYS . 12.8 t -119.54 132.0 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.154 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -144.48 143.69 30.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -74.28 151.05 39.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.47 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 35.2 tttt -66.29 139.69 96.46 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.618 0.723 . . . . 0.0 110.864 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 54.1 Cg_endo -69.78 -8.42 23.56 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.716 2.278 . . . . 0.0 112.349 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -121.55 -29.01 1.5 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.432 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.3 m -118.65 84.15 23.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.606 0.717 . . . . 0.0 110.831 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -6.52 18.81 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.663 2.242 . . . . 0.0 112.33 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 3.3 p90 -88.85 0.84 56.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.698 ' OE1' HG23 ' A' ' 125' ' ' VAL . 0.0 OUTLIER -140.44 160.71 39.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -118.22 145.05 45.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.698 HG23 ' OE1' ' A' ' 123' ' ' GLU . 98.6 t -130.42 114.86 29.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.409 ' HB3' HG21 ' A' ' 31' ' ' THR . 41.7 t -94.02 137.0 33.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -112.0 135.89 52.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.614 HD11 ' OG ' ' A' ' 44' ' ' SER . 4.5 tp -100.45 146.93 26.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.542 ' CD2' ' HA ' ' A' ' 25' ' ' TYR . 35.9 m-85 -148.09 173.23 13.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.625 ' HB2' HD21 ' A' ' 26' ' ' LEU . . . -138.48 159.17 42.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.106 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.442 ' HG3' ' HB2' ' A' ' 138' ' ' ALA . 21.8 mt-10 -62.22 128.91 38.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.652 HD23 ' C ' ' A' ' 132' ' ' LEU . 6.6 tt -110.65 -52.4 2.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.416 ' CG ' ' CD2' ' A' ' 132' ' ' LEU . 56.6 m-20 -116.1 141.88 28.4 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.59 0.709 . . . . 0.0 110.851 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -41.94 3.77 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -41.07 -35.12 0.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . 0.472 ' NE2' ' HB2' ' A' ' 21' ' ' CYS . 31.1 mt-30 -129.66 101.25 18.78 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.601 0.715 . . . . 0.0 110.958 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.512 ' HG2' ' HB2' ' A' ' 140' ' ' ALA . 53.5 Cg_endo -69.76 137.5 35.59 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.715 2.276 . . . . 0.0 112.324 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.759 ' HA ' HD12 ' A' ' 141' ' ' ILE . . . -39.99 -43.42 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -59.46 -53.09 49.06 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.528 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.512 ' HB2' ' HG2' ' A' ' 137' ' ' PRO . . . -48.66 -24.37 1.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.762 0.315 . . . . 0.0 111.072 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.759 HD12 ' HA ' ' A' ' 138' ' ' ALA . 33.7 mt -76.83 -73.55 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.801 HG21 HG23 ' A' ' 93' ' ' THR . 5.7 m -41.7 -53.02 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.515 ' H ' HG23 ' A' ' 142' ' ' VAL . 97.4 m -47.53 -67.58 0.26 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.179 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -40.96 -47.05 2.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 142' ' ' VAL . 68.2 mt -53.47 -59.82 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.154 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . 0.594 ' HB ' HD12 ' A' ' 150' ' ' LEU . 74.2 p -53.45 -33.78 55.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -67.25 -39.38 86.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 32.2 t -94.47 -67.47 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.522 HD13 HG23 ' A' ' 85' ' ' VAL . 2.5 mm? -40.97 -70.64 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.594 HD12 ' HB ' ' A' ' 146' ' ' THR . 18.8 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.909 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.509 ' CD2' ' HB2' ' A' ' 65' ' ' ALA . 14.3 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.81 0.338 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.488 ' CG ' ' N ' ' A' ' 17' ' ' GLN . 20.5 ptt85 -49.74 -47.78 50.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.488 ' N ' ' CG ' ' A' ' 16' ' ' ARG . 48.2 mm-40 -42.58 -50.01 5.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.87 117.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.85 121.86 37.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.354 . . . . 0.0 111.064 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.67 137.59 25.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.3 p -163.33 172.42 14.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -85.06 131.92 34.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.6 m -117.84 166.42 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.175 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.745 HD11 ' CB ' ' A' ' 56' ' ' PRO . 2.3 tm? -95.44 111.95 23.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.421 ' N ' HD13 ' A' ' 24' ' ' LEU . 15.5 t80 -77.28 99.24 5.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.523 HD11 ' HB2' ' A' ' 130' ' ' ALA . 66.6 mt -74.36 -71.33 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.5 t -174.66 174.19 2.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.5 t -139.88 122.19 15.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.9 t -105.62 135.54 43.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.177 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -66.96 121.02 14.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.736 HG21 ' HB1' ' A' ' 39' ' ' ALA . 29.4 p -114.22 39.4 2.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 31' ' ' THR . 8.5 pt-20 -35.11 -46.24 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.0 t -96.08 -36.25 11.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 31' ' ' THR . 2.1 mm? -71.23 145.3 49.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.1 t -165.05 163.43 20.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.56 -154.02 45.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.467 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 3.32 2.81 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.242 . . . . 0.0 112.365 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -98.02 -42.97 7.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.736 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -55.86 -41.25 74.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.2 t -63.62 -49.33 82.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.429 ' HB2' ' HG2' ' A' ' 95' ' ' PRO . . . -54.73 -26.73 35.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -73.63 -58.6 3.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.3 -44.35 23.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.458 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 31.3 m -58.45 -55.01 40.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.8 t -57.18 -54.08 50.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -44.44 -27.61 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 44' ' ' SER . . . -66.48 -55.6 14.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.058 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.546 ' H ' HD12 ' A' ' 48' ' ' LEU . 5.2 mp -70.67 -38.81 73.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.1 t -65.69 -49.8 67.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 50.7 t -64.29 138.07 58.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.553 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 33.0 p -150.29 144.68 17.73 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.619 0.724 . . . . 0.0 110.854 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.7 Cg_endo -69.81 130.15 16.14 Favored 'Cis proline' 0 C--N 1.341 0.143 0 C-N-CA 122.631 -1.82 . . . . 0.0 112.362 -0.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.463 ' N ' ' HA ' ' A' ' 51' ' ' SER . 9.3 ptp180 -34.55 145.26 0.18 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.628 0.727 . . . . 0.0 110.856 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 152.06 68.95 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.1 m -88.69 114.17 58.77 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.549 0.69 . . . . 0.0 111.131 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.745 ' CB ' HD11 ' A' ' 24' ' ' LEU . 54.0 Cg_endo -69.74 155.39 66.14 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.702 2.268 . . . . 0.0 112.357 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -136.96 152.83 50.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.1 m -84.17 138.36 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.0 m -144.41 -176.73 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 18.0 t-80 -105.41 149.09 26.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -132.89 136.61 46.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.3 tttt -148.34 133.83 18.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 40.7 t -122.95 118.22 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.4 t -139.25 175.27 9.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.83 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.509 ' HB2' ' CD2' ' A' ' 15' ' ' LEU . . . -54.88 -23.37 18.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.116 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -86.84 24.81 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.471 ' HA2' HD11 ' A' ' 149' ' ' LEU . . . 91.0 -125.32 7.94 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 71.4 mt -130.27 145.12 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.977 0.417 . . . . 0.0 111.078 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 m -131.15 115.46 16.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.6 mt -113.82 132.53 55.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 42.1 m -116.66 147.66 41.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.172 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.544 ' OD2' ' CZ ' ' A' ' 78' ' ' PHE . 3.2 m-20 -139.34 136.62 35.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -101.8 -35.44 9.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.701 ' NE2' ' H ' ' A' ' 76' ' ' LYS . 1.1 pp0? -50.27 -19.96 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 74' ' ' GLN . 67.5 mtm180 37.51 27.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.701 ' H ' ' NE2' ' A' ' 74' ' ' GLN . 27.5 mttt -92.51 -60.93 1.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 77' ' ' LEU . 2.1 mm? -79.64 -49.97 11.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.544 ' CZ ' ' OD2' ' A' ' 72' ' ' ASP . 33.3 p90 -155.77 153.15 29.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -80.98 -70.1 0.56 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -150.93 150.02 30.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.508 ' HB3' ' CE1' ' A' ' 83' ' ' TYR . 3.5 mmm180 -136.37 124.83 23.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -107.12 118.89 37.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.508 ' CE1' ' HB3' ' A' ' 81' ' ' ARG . 4.4 m-85 -110.97 113.69 54.68 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.64 0.733 . . . . 0.0 110.926 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 83' ' ' TYR . 53.5 Cg_endo -69.74 148.24 64.76 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.731 2.288 . . . . 0.0 112.366 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.873 HG23 HD13 ' A' ' 149' ' ' LEU . 9.8 p -51.71 -31.56 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 87' ' ' SER . 6.7 m-20 -67.26 -67.87 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 86' ' ' ASN . 99.0 p -34.89 -56.75 0.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.801 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 13.5 mt -57.91 106.29 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.8 t -114.85 -7.72 12.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.156 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -153.23 137.1 16.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.5 ' O ' ' CG2' ' A' ' 146' ' ' THR . 47.1 t -163.0 120.23 1.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.9 m -172.37 151.73 2.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.861 HG23 HG21 ' A' ' 142' ' ' VAL . 35.7 p -53.45 160.42 1.21 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.171 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.496 ' OD2' ' N ' ' A' ' 98' ' ' ARG . 36.8 p-10 -47.89 117.5 5.48 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.624 0.726 . . . . 0.0 110.852 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.429 ' HG2' ' HB2' ' A' ' 41' ' ' ALA . 54.0 Cg_endo -69.72 -8.44 23.6 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.727 2.284 . . . . 0.0 112.335 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -102.88 21.16 16.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.7 t70 37.29 47.89 0.74 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.496 ' N ' ' OD2' ' A' ' 94' ' ' ASP . 14.4 tpp180 -83.93 160.14 21.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 26.7 mmt85 -131.28 148.49 52.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.417 ' CD2' HD22 ' A' ' 26' ' ' LEU . 74.4 t-105 -111.23 103.65 12.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.4 m -66.28 111.37 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.126 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -68.38 158.99 83.13 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.635 0.731 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 0.72 5.24 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.68 2.253 . . . . 0.0 112.333 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -94.55 -39.26 10.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 128.68 42.44 0.24 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.2 p -145.59 170.7 15.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 111.205 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 77.1 p -114.12 144.08 43.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.107 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.5 m -129.13 169.67 14.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.459 ' HD2' ' HB3' ' A' ' 138' ' ' ALA . 19.9 ttmm -92.81 128.79 38.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 53.6 mt -93.25 136.04 26.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.081 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.503 ' HB3' ' HB1' ' A' ' 138' ' ' ALA . 10.9 p90 -145.55 160.8 41.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -178.25 149.97 9.47 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -112.33 158.54 19.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.916 0.389 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.9 t -104.54 107.49 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -120.58 153.03 37.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.075 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -78.72 150.63 32.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -73.77 137.65 76.83 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.593 0.711 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 0.6 5.4 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -122.27 -24.99 2.1 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.445 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.404 ' HA ' ' HD2' ' A' ' 121' ' ' PRO . 36.5 m -131.51 95.16 24.34 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.654 0.74 . . . . 0.0 110.906 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 120' ' ' SER . 54.1 Cg_endo -69.72 -19.47 36.27 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.665 2.243 . . . . 0.0 112.382 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.41 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 43.9 p90 -90.01 22.24 3.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.41 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 72.1 mt-10 -144.86 163.38 34.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -140.46 141.35 35.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.6 p -147.03 123.63 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 36.3 t -86.09 156.27 20.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -118.61 118.62 32.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.452 ' HG ' HD12 ' A' ' 26' ' ' LEU . 9.8 tp -80.1 145.57 32.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.48 ' HB3' ' CE1' ' A' ' 111' ' ' PHE . 43.4 m-85 -148.98 167.18 26.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.617 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -143.29 135.25 26.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.424 ' HB3' ' N ' ' A' ' 138' ' ' ALA . 0.1 OUTLIER -52.09 109.01 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.9 tt -75.25 -49.51 19.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -92.71 145.28 30.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.628 0.728 . . . . 0.0 110.886 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -45.37 1.58 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.704 2.269 . . . . 0.0 112.295 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.72 -35.51 79.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -107.12 84.38 1.64 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.625 0.726 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 170.13 17.27 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.65 2.233 . . . . 0.0 112.374 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.681 ' HA ' HD12 ' A' ' 141' ' ' ILE . . . -60.15 -43.1 96.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -54.03 -54.4 31.62 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -49.16 -29.17 5.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.681 HD12 ' HA ' ' A' ' 138' ' ' ALA . 47.9 mt -74.61 -72.38 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.861 HG21 HG23 ' A' ' 93' ' ' THR . 20.6 m -45.74 -45.88 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.476 ' N ' HG23 ' A' ' 142' ' ' VAL . 66.7 m -48.46 -60.89 2.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -51.27 -41.97 60.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 80.5 mt -58.97 -74.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.158 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 91' ' ' SER . 30.6 p -47.89 -35.44 10.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -52.08 -50.28 61.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.639 HG13 ' N ' ' A' ' 149' ' ' LEU . 8.8 p -96.95 -53.65 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.083 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.873 HD13 HG23 ' A' ' 85' ' ' VAL . 4.0 mm? -51.9 -62.71 1.46 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 146' ' ' THR . 3.5 mm? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.739 HD23 ' HB2' ' A' ' 65' ' ' ALA . 7.1 mp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.857 0.361 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -48.6 -30.89 5.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -85.66 -55.63 3.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.38 144.97 2.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.468 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.38 124.97 33.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.777 0.322 . . . . 0.0 111.129 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.59 141.61 27.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.433 ' HB3' ' NE2' ' A' ' 136' ' ' GLN . 24.8 p -166.1 166.72 16.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.9 m -81.05 138.54 35.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.9 m -128.12 176.8 6.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.509 ' C ' HD13 ' A' ' 24' ' ' LEU . 3.4 tm? -107.04 116.11 31.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -82.3 108.72 15.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.55 HD21 ' CD1' ' A' ' 100' ' ' TRP . 66.8 mt -76.78 -71.47 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.7 t -173.52 162.68 4.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.9 p -125.7 136.63 53.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.5 t -121.87 146.81 26.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -71.47 116.49 11.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.522 HG21 ' HB1' ' A' ' 39' ' ' ALA . 18.5 p -117.29 37.36 3.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -40.11 -50.31 2.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.3 t -85.01 -49.32 8.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -58.75 137.5 57.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.937 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 79.4 p -147.42 173.44 12.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.54 -157.84 36.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 2.5 3.49 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.616 2.211 . . . . 0.0 112.367 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -84.11 -42.51 15.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.522 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -59.27 -42.79 92.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.0 t -54.52 -42.62 60.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.091 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.66 -36.3 83.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -57.94 -61.16 2.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -39.39 -63.05 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.3 m -47.49 -46.16 26.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.4 t -59.59 -34.18 72.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.71 -11.37 45.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.089 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.4 -30.81 23.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.072 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.9 mt -94.97 -27.48 15.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.0 t -79.42 -48.34 14.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 42.0 t -58.31 138.21 56.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.539 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 15.6 p -139.97 152.11 66.94 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.697 0.76 . . . . 0.0 110.842 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.5 Cg_endo -69.75 169.98 60.63 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.337 -0.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -46.29 145.11 2.85 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.578 0.704 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 159.43 53.48 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.689 2.259 . . . . 0.0 112.36 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.416 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 50.2 m -105.7 93.31 7.15 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.569 0.699 . . . . 0.0 111.104 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.465 ' HB2' HD11 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.8 159.46 53.28 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.692 2.261 . . . . 0.0 112.325 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -141.46 156.54 45.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.2 t -85.34 123.87 39.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.9 m -134.22 177.37 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.15 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -97.69 160.11 14.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -148.74 117.32 6.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 41.5 tttm -125.28 144.23 50.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.536 HG11 ' HD2' ' A' ' 144' ' ' PHE . 21.7 t -121.85 116.86 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 t -138.45 157.69 45.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.815 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.739 ' HB2' HD23 ' A' ' 15' ' ' LEU . . . -50.29 -21.07 1.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.095 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -89.18 19.57 4.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.923 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.56 ' HA2' HD11 ' A' ' 149' ' ' LEU . . . 97.07 -150.73 19.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.478 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 87.4 mt -109.0 143.07 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.949 0.404 . . . . 0.0 111.092 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.5 m -131.51 111.5 11.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.126 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.43 HD12 ' HE2' ' A' ' 83' ' ' TYR . 13.8 mt -99.99 152.5 20.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 22.6 m -140.53 122.35 15.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.162 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -105.4 146.92 28.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -116.88 -41.03 3.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -71.43 -16.45 62.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 33.0 mtt180 47.08 45.36 15.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -76.69 -35.23 58.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 mt -128.42 -50.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -140.66 140.27 34.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.43 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 1.8 t80 -75.65 -57.09 4.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -140.08 163.44 32.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -159.71 123.2 3.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -102.88 124.21 47.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.461 ' OH ' ' CE1' ' A' ' 127' ' ' HIS . 45.9 m-85 -121.23 95.7 48.47 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.701 0.763 . . . . 0.0 110.917 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 85' ' ' VAL . 53.4 Cg_endo -69.82 136.19 32.22 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.655 2.237 . . . . 0.0 112.311 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.657 HG23 HD13 ' A' ' 149' ' ' LEU . 9.7 p -33.89 -44.58 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.492 ' N ' HG13 ' A' ' 85' ' ' VAL . 76.4 m-20 -52.94 -55.89 20.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.5 m -50.01 -42.99 50.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.8 mt -80.57 124.9 38.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 62.2 p -116.85 -33.44 4.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.123 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -137.1 150.86 48.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.2 t -170.12 113.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.3 m -165.95 147.32 6.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.706 HG23 HG21 ' A' ' 142' ' ' VAL . 2.6 p -45.82 143.39 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.432 ' CG ' ' HD2' ' A' ' 95' ' ' PRO . 2.0 t70 -46.95 140.94 5.98 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.569 0.699 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.432 ' HD2' ' CG ' ' A' ' 94' ' ' ASP . 53.4 Cg_endo -69.77 -31.38 20.59 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.725 2.284 . . . . 0.0 112.324 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -76.17 -5.78 48.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 39.7 41.93 0.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -77.87 -178.38 5.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 78.5 mmt-85 -123.6 166.58 15.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.55 ' CD1' HD21 ' A' ' 26' ' ' LEU . 49.9 t-105 -126.5 110.43 13.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.0 m -75.55 91.23 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -49.18 154.38 1.42 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.608 0.718 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 0.63 5.39 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.641 2.228 . . . . 0.0 112.318 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -95.57 -36.05 11.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 125.73 54.91 0.16 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 11.6 t -162.9 156.81 20.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.843 0.354 . . . . 0.0 111.138 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 27.4 p -99.76 155.5 17.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 46.5 m -152.77 152.22 31.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -69.46 147.98 50.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 82.6 mt -108.07 131.9 57.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.134 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.463 ' O ' ' N ' ' A' ' 129' ' ' PHE . 6.8 p90 -151.08 158.97 44.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -169.4 -176.1 39.07 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.511 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.534 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 0.6 OUTLIER -143.47 168.7 19.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.913 0.387 . . . . 0.0 110.841 -179.868 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.4 t -121.53 123.52 69.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.106 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -134.82 161.14 36.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.086 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -80.4 140.25 36.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.472 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 7.7 ttmm -47.34 140.53 7.17 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.58 0.705 . . . . 0.0 110.905 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 53.6 Cg_endo -69.79 1.47 4.42 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.688 2.259 . . . . 0.0 112.351 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -137.41 3.63 3.3 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.434 ' HA ' ' HD2' ' A' ' 121' ' ' PRO . 43.0 m -158.25 105.0 1.69 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.628 0.728 . . . . 0.0 110.911 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 120' ' ' SER . 53.7 Cg_endo -69.76 -7.41 20.99 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.688 2.259 . . . . 0.0 112.363 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.449 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 19.7 p90 -96.14 2.75 53.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.449 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 42.8 mt-10 -121.69 163.09 19.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -139.8 136.93 34.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 2.0 t -135.3 109.26 10.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 52.0 t -82.27 135.81 35.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . 0.461 ' CE1' ' OH ' ' A' ' 83' ' ' TYR . 7.0 m-70 -112.26 112.46 24.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.2 tp -75.1 157.56 34.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' A' ' 111' ' ' PHE . 19.6 m-85 -152.67 172.35 16.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.463 ' HB3' HD12 ' A' ' 24' ' ' LEU . . . -144.46 157.54 44.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.142 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.449 ' HG2' ' N ' ' A' ' 138' ' ' ALA . 87.8 mt-10 -70.79 120.45 16.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 10.4 tt -97.39 -45.7 6.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.913 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.82 144.17 29.76 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.574 0.702 . . . . 0.0 110.86 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -49.85 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.641 2.227 . . . . 0.0 112.383 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -52.0 -42.55 63.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . 0.433 ' NE2' ' HB3' ' A' ' 21' ' ' CYS . 31.5 mt-30 -114.38 80.48 5.98 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.572 0.701 . . . . 0.0 110.91 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -172.13 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.751 2.301 . . . . 0.0 112.33 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.449 ' N ' ' HG2' ' A' ' 131' ' ' GLU . . . -74.53 -45.96 42.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -46.35 -47.82 16.33 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.57 -28.01 65.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 0.0 111.131 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 74.9 mt -77.4 -73.14 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.706 HG21 HG23 ' A' ' 93' ' ' THR . 6.4 m -45.74 -48.47 4.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.435 ' N ' HG23 ' A' ' 142' ' ' VAL . 75.2 m -47.9 -63.51 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' PHE . . . . . 0.536 ' HD2' HG11 ' A' ' 63' ' ' VAL . 57.8 t80 -48.76 -42.27 34.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.482 HG23 ' HG ' ' A' ' 149' ' ' LEU . 96.0 mt -59.54 -59.92 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 45.2 p -58.41 -15.32 10.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.16 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 8.5 mtpt -85.81 -42.98 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 28.8 t -92.91 -68.12 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.146 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.657 HD13 HG23 ' A' ' 85' ' ' VAL . 3.7 mm? -39.99 -70.37 0.11 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 4.7 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.867 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.866 HD21 ' HB2' ' A' ' 65' ' ' ALA . 73.1 mt . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.857 0.36 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.7 mtt85 -55.88 -19.89 13.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -84.54 -63.16 1.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.05 133.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.66 123.66 33.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 0.0 111.051 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.57 120.28 11.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.467 ' HB2' ' NE2' ' A' ' 136' ' ' GLN . 2.0 t -154.74 178.8 9.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.8 p -93.92 129.41 40.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.1 m -115.54 173.5 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.162 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.626 ' C ' HD13 ' A' ' 24' ' ' LEU . 2.3 tm? -104.51 110.85 23.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.411 ' N ' HD13 ' A' ' 24' ' ' LEU . 20.7 t80 -80.35 100.72 8.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.634 HD22 ' CD2' ' A' ' 100' ' ' TRP . 96.3 mt -69.03 -72.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 28' ' ' SER . 5.9 t -162.52 -176.0 4.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.436 ' N ' ' OG1' ' A' ' 27' ' ' THR . 61.9 p -140.22 119.87 13.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.2 t -113.96 139.51 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.145 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -75.66 119.95 20.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.584 HG21 ' HB1' ' A' ' 39' ' ' ALA . 42.1 p -114.03 42.07 2.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.129 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -42.3 -45.92 4.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -94.0 -43.1 8.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -62.36 136.16 57.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.945 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.432 HG22 ' ND2' ' A' ' 124' ' ' ASN . 33.4 p -142.81 177.39 8.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 55.4 -150.36 20.99 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.528 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.528 ' HD3' ' CE2' ' A' ' 90' ' ' PHE . 53.9 Cg_endo -69.76 -20.96 34.16 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.668 2.245 . . . . 0.0 112.363 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -63.3 -36.33 83.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.584 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -66.6 -39.08 88.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.3 t -60.74 -48.39 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.087 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.27 -33.36 74.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.131 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.5 ttt85 -57.75 -62.69 1.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.84 -35.06 30.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.07 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.1 m -65.18 -36.2 83.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.4 t -71.47 -63.49 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -38.11 -35.46 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.117 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.404 ' C ' HD13 ' A' ' 48' ' ' LEU . . . -45.8 -50.78 13.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.82 HD22 ' H ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -99.72 -33.26 10.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.1 t -63.8 -50.3 69.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.414 ' O ' ' O ' ' A' ' 51' ' ' SER . 1.4 m -84.09 24.69 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.505 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 0.4 OUTLIER -38.98 160.59 0.09 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.675 0.75 . . . . 0.0 110.856 -179.725 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 51' ' ' SER . 54.1 Cg_endo -69.75 153.36 92.92 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.354 -0.045 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.41 ' C ' ' HD2' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -55.96 142.28 65.28 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.646 0.736 . . . . 0.0 110.851 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 166.05 28.82 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 94.5 m -93.73 110.46 47.52 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.596 0.712 . . . . 0.0 111.14 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.485 ' CB ' HD11 ' A' ' 24' ' ' LEU . 53.9 Cg_endo -69.76 172.69 12.17 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.656 2.238 . . . . 0.0 112.36 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.76 154.32 29.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.07 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.455 HG13 ' CD1' ' A' ' 132' ' ' LEU . 57.5 t -89.93 119.78 37.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.3 m -131.24 159.61 42.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -74.03 151.35 40.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -133.88 142.02 47.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.793 ' O ' HG23 ' A' ' 68' ' ' ILE . 7.8 tptm -147.81 141.5 25.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 99.1 t -130.83 107.59 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.9 t -131.66 167.46 19.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.866 ' HB2' HD21 ' A' ' 15' ' ' LEU . . . -55.18 -22.04 15.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.07 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -90.21 19.45 5.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.93 -154.75 19.6 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.475 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.793 HG23 ' O ' ' A' ' 62' ' ' LYS . 70.6 mt -113.23 135.19 53.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.937 0.399 . . . . 0.0 111.075 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 62.3 m -114.34 137.84 51.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.109 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.2 mt -130.08 128.11 41.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.426 ' HA ' ' CB ' ' A' ' 80' ' ' ARG . 99.3 m -114.83 108.79 17.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.509 ' OD1' ' CZ ' ' A' ' 78' ' ' PHE . 0.6 OUTLIER -87.3 140.76 29.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -113.48 -50.41 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -56.07 -23.81 36.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.4 mtp180 43.12 34.21 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -93.02 -39.3 11.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.4 mt -102.39 -36.03 8.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.509 ' CZ ' ' OD1' ' A' ' 72' ' ' ASP . 1.3 p90 -174.92 172.07 2.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -108.35 167.56 9.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.426 ' CB ' ' HA ' ' A' ' 71' ' ' THR . 6.7 ptm180 -38.74 138.3 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 18.1 mmm-85 -133.25 128.66 36.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -101.08 115.78 31.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -107.15 121.05 45.89 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.699 0.761 . . . . 0.0 110.911 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 135.26 29.94 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.3 p -41.78 -39.81 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -52.3 -48.25 65.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.56 ' OG ' ' HB1' ' A' ' 115' ' ' ALA . 39.6 t -52.63 -57.84 8.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.8 mt -66.52 105.92 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.115 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.519 ' O ' HD13 ' A' ' 150' ' ' LEU . 74.0 p -111.39 -41.67 4.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.528 ' CE2' ' HD3' ' A' ' 37' ' ' PRO . 18.6 t80 -121.73 132.74 54.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.496 ' O ' ' CG2' ' A' ' 146' ' ' THR . 3.7 t -150.76 136.59 18.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.1 t -175.15 144.42 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.513 HG22 ' CB ' ' A' ' 111' ' ' PHE . 0.9 OUTLIER -52.37 168.18 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -60.75 123.3 73.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.592 0.711 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -31.82 19.86 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.713 2.276 . . . . 0.0 112.316 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -69.83 -1.77 10.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 42.68 35.19 0.65 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -86.33 171.3 11.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 8.2 mmt85 -117.63 155.13 30.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.634 ' CD2' HD22 ' A' ' 26' ' ' LEU . 53.1 t-105 -112.62 112.35 23.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 31.8 m -77.16 90.89 3.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -44.71 159.55 0.25 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -5.5 16.37 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.681 2.254 . . . . 0.0 112.321 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -91.72 -34.99 14.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 124.73 55.66 0.18 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.457 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.0 t -163.16 149.01 11.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.346 . . . . 0.0 111.172 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.1 p -88.66 154.4 20.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 90.4 p -149.04 151.99 35.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -69.25 131.54 45.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.481 HG23 ' CD1' ' A' ' 26' ' ' LEU . 13.6 mt -94.73 129.09 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.513 ' CB ' HG22 ' A' ' 93' ' ' THR . 9.3 p90 -150.66 166.54 30.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 177.02 -175.79 47.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.51 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -140.72 173.07 11.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.372 . . . . 0.0 110.875 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.3 t -118.39 117.04 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.56 ' HB1' ' OG ' ' A' ' 87' ' ' SER . . . -127.14 144.93 50.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -85.66 143.71 28.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 19.4 mttp -56.74 146.25 58.17 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.602 0.715 . . . . 0.0 110.912 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -29.6 23.68 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.713 2.275 . . . . 0.0 112.342 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -104.63 -11.88 29.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.488 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.425 ' HB3' ' NE1' ' A' ' 122' ' ' TRP . 37.8 m -130.14 78.91 73.86 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.702 0.763 . . . . 0.0 110.879 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -3.09 11.32 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.681 2.254 . . . . 0.0 112.369 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.425 ' NE1' ' HB3' ' A' ' 120' ' ' SER . 5.4 p90 -87.52 -26.97 22.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -115.56 149.68 37.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.432 ' ND2' HG22 ' A' ' 35' ' ' THR . 0.6 OUTLIER -110.64 151.95 27.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 5.2 t -133.95 121.99 40.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 43.2 t -98.95 138.05 36.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -110.9 128.67 55.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.532 ' HG ' HD12 ' A' ' 26' ' ' LEU . 9.1 tp -89.52 135.47 33.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -138.5 171.4 14.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.443 ' HB2' HD11 ' A' ' 26' ' ' LEU . . . -147.75 155.87 42.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.515 ' HG3' ' HB2' ' A' ' 138' ' ' ALA . 64.7 mt-10 -62.91 126.46 27.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.472 HD23 ' C ' ' A' ' 132' ' ' LEU . 9.7 tt -108.3 -47.8 3.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.434 ' CG ' ' HD2' ' A' ' 134' ' ' PRO . 9.7 t70 -114.98 139.91 24.88 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.6 0.714 . . . . 0.0 110.902 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.434 ' HD2' ' CG ' ' A' ' 133' ' ' ASP . 53.1 Cg_endo -69.79 -32.81 17.73 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.325 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -50.96 -36.82 40.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . 0.467 ' NE2' ' HB2' ' A' ' 21' ' ' CYS . 26.0 mt-30 -127.91 96.27 32.42 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.602 0.715 . . . . 0.0 110.911 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 136' ' ' GLN . 53.6 Cg_endo -69.82 149.74 66.9 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.515 ' HB2' ' HG3' ' A' ' 131' ' ' GLU . . . -53.22 -32.82 50.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -62.25 -42.76 99.71 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.478 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.82 -31.0 71.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.742 0.306 . . . . 0.0 111.069 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 80.0 mt -71.61 -72.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.523 HG23 ' H ' ' A' ' 143' ' ' THR . 4.5 m -40.59 -53.51 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.523 ' H ' HG23 ' A' ' 142' ' ' VAL . 92.5 m -50.67 -70.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 143' ' ' THR . 14.0 t80 -37.67 -42.21 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.623 HG23 ' CB ' ' A' ' 149' ' ' LEU . 72.9 mt -65.98 -65.6 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 91' ' ' SER . 4.5 p -52.11 -14.25 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -83.02 -61.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.627 HG13 ' N ' ' A' ' 149' ' ' LEU . 13.6 p -97.21 -53.02 8.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.627 ' N ' HG13 ' A' ' 148' ' ' VAL . 1.8 mm? -52.44 -21.87 4.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.519 HD13 ' O ' ' A' ' 89' ' ' THR . 9.1 tp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.511 HD21 HG21 ' A' ' 148' ' ' VAL . 37.5 mt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.769 0.318 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -42.38 -44.86 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -62.09 -50.73 70.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.01 114.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.57 119.63 39.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.781 0.324 . . . . 0.0 111.057 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.834 ' HB2' ' HG2' ' A' ' 62' ' ' LYS . . . -141.18 128.56 21.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 t -162.43 169.09 21.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.1 m -90.91 122.32 33.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.824 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.4 m -108.2 -174.8 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.13 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.713 HD11 ' HB2' ' A' ' 56' ' ' PRO . 2.3 tm? -107.5 113.28 26.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.483 ' N ' HD13 ' A' ' 24' ' ' LEU . 48.9 t80 -80.15 103.66 10.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.576 HD12 ' HG ' ' A' ' 128' ' ' LEU . 71.4 mt -73.09 -69.13 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.9 t -172.79 171.09 4.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.5 t -127.42 135.08 49.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.783 HG21 ' HA ' ' A' ' 43' ' ' ALA . 55.9 t -119.66 143.28 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.152 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -77.79 116.51 18.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.622 HG21 ' HB1' ' A' ' 39' ' ' ALA . 72.5 p -116.86 44.3 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.135 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -43.1 -42.53 4.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 t -99.79 -34.3 10.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.409 ' O ' HG23 ' A' ' 35' ' ' THR . 2.2 mm? -71.48 135.42 47.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 34' ' ' LEU . 40.4 p -156.59 141.38 17.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.27 -151.67 18.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -16.7 37.66 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.691 2.261 . . . . 0.0 112.391 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -78.49 -45.0 23.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.622 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -54.92 -42.01 71.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.8 t -61.17 -44.7 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.33 -53.41 57.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.081 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -42.12 -65.0 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.783 ' HA ' HG21 ' A' ' 29' ' ' VAL . . . -39.9 -48.89 2.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.087 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.435 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 61.2 m -60.81 -57.31 13.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.836 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.7 t -43.79 -49.2 8.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.47 -29.39 68.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.134 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 44' ' ' SER . . . -59.61 -45.32 92.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.551 ' N ' HD12 ' A' ' 48' ' ' LEU . 5.7 mp -85.1 -36.9 20.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.7 t -64.32 -53.24 51.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.6 p -55.4 147.9 16.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.527 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 20.7 p -150.79 153.79 34.02 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.669 0.747 . . . . 0.0 110.905 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 51' ' ' SER . 54.1 Cg_endo -69.76 166.71 73.34 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.391 -0.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -43.55 138.52 2.88 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.572 0.701 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 159.97 51.42 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.621 2.214 . . . . 0.0 112.312 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.4 m -104.21 94.18 6.48 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.521 0.677 . . . . 0.0 111.128 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.713 ' HB2' HD11 ' A' ' 24' ' ' LEU . 53.9 Cg_endo -69.76 156.36 63.53 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -137.39 156.03 48.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.0 m -86.89 138.68 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.3 m -143.8 172.77 6.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.574 ' CE1' ' HB2' ' A' ' 62' ' ' LYS . 39.8 t-80 -86.27 132.77 33.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.548 ' CE1' HG23 ' A' ' 141' ' ' ILE . 11.0 t80 -118.81 123.57 45.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.834 ' HG2' ' HB2' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -148.43 147.98 29.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.5 t -125.66 121.03 59.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.165 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.5 p -135.64 169.13 18.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.55 -18.87 21.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.099 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 14.0 mt-30 -83.67 -15.44 48.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 127.63 -143.57 14.46 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.533 HG12 HD11 ' A' ' 88' ' ' ILE . 16.7 mm -103.64 136.58 35.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 111.134 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.8 m -119.31 130.14 55.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 24.5 mt -128.83 145.37 51.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.419 HG22 ' N ' ' A' ' 72' ' ' ASP . 78.2 m -138.34 154.77 48.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.419 ' N ' HG22 ' A' ' 71' ' ' THR . 8.3 t70 -135.8 150.65 49.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -115.4 -49.38 2.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -65.35 -7.57 14.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 39.23 43.41 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -77.69 -54.69 6.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.5 mt -101.29 -50.89 3.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -145.78 158.51 43.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -86.84 -55.81 3.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.1 ptt-85 -158.77 151.8 22.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.946 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.43 ' NE ' ' HA ' ' A' ' 81' ' ' ARG . 4.6 mmp_? -149.35 123.59 9.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -119.51 130.36 55.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -119.93 143.35 35.07 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.683 0.754 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.406 ' HA ' ' O ' ' A' ' 66' ' ' GLN . 53.4 Cg_endo -69.78 171.56 14.28 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.7 2.266 . . . . 0.0 112.332 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.67 HG23 ' CD1' ' A' ' 149' ' ' LEU . 11.0 p -73.61 -24.34 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 87' ' ' SER . 35.2 t-20 -72.25 -52.8 14.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 86' ' ' ASN . 91.1 p -37.13 -49.19 0.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.533 HD11 HG12 ' A' ' 68' ' ' ILE . 12.1 mt -68.41 109.62 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.158 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.425 ' O ' HD21 ' A' ' 150' ' ' LEU . 38.6 p -105.98 -31.76 8.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.431 ' CG ' ' N ' ' A' ' 91' ' ' SER . 62.5 t80 -135.76 169.01 18.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.431 ' N ' ' CG ' ' A' ' 90' ' ' PHE . 1.2 m -175.24 129.81 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.8 t -175.94 144.63 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.716 HG23 HG21 ' A' ' 142' ' ' VAL . 10.6 p -57.37 167.19 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.099 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -58.94 128.27 84.5 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.613 0.72 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.417 ' HG2' ' NE2' ' A' ' 96' ' ' GLN . 53.8 Cg_endo -69.7 -47.09 1.02 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.727 2.285 . . . . 0.0 112.355 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.417 ' NE2' ' HG2' ' A' ' 95' ' ' PRO . 15.4 mp0 -54.9 -25.29 28.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.0 t70 62.37 32.25 16.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -82.41 159.7 22.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -104.2 139.62 38.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.574 ' CD1' HD21 ' A' ' 26' ' ' LEU . 68.7 t-105 -101.43 114.92 29.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.5 m -76.15 93.97 3.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.112 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -58.12 157.53 16.26 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.615 0.721 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -3.49 12.11 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.658 2.239 . . . . 0.0 112.395 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -94.75 8.83 41.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.59 51.28 9.74 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 34.9 p -155.15 152.41 29.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 111.127 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 53.7 p -100.67 154.66 18.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.144 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 72.7 m -155.26 166.81 32.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -84.68 150.71 24.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 61.5 mt -101.59 143.99 13.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.165 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.766 ' HB3' ' HB1' ' A' ' 138' ' ' ALA . 3.1 p90 -159.21 152.69 22.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -163.05 170.4 38.52 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.513 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.535 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -129.36 167.63 17.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.905 0.383 . . . . 0.0 110.861 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.7 t -124.16 103.43 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.51 161.87 21.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -77.3 151.7 34.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -63.24 148.45 93.13 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.635 0.731 . . . . 0.0 110.891 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -22.61 31.99 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.702 2.268 . . . . 0.0 112.372 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -107.59 -32.63 3.33 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.8 m -117.66 108.6 42.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.621 0.724 . . . . 0.0 110.859 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -2.78 10.75 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.732 2.288 . . . . 0.0 112.329 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 35.2 p90 -113.42 1.27 15.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -112.74 108.05 16.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -90.45 141.06 29.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 94.3 t -137.07 118.53 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.748 ' SG ' ' HB2' ' A' ' 43' ' ' ALA . 14.2 p -84.63 123.17 30.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . 0.435 ' HB2' ' CE1' ' A' ' 113' ' ' PHE . 86.8 m-70 -96.74 110.0 22.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.576 ' HG ' HD12 ' A' ' 26' ' ' LEU . 11.4 tp -75.95 148.5 38.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.411 ' HB3' ' CE1' ' A' ' 111' ' ' PHE . 43.9 m-85 -153.96 169.58 23.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.504 ' HB2' HD11 ' A' ' 26' ' ' LEU . . . -145.01 122.81 11.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -42.59 105.98 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.494 HD23 ' C ' ' A' ' 132' ' ' LEU . 9.0 tt -72.99 -52.46 14.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -84.56 135.38 40.89 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.611 0.72 . . . . 0.0 110.891 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -37.29 9.39 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.644 2.229 . . . . 0.0 112.366 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -58.63 -36.49 74.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . 0.441 ' HA ' ' HD2' ' A' ' 137' ' ' PRO . 28.1 mm-40 -115.98 102.7 53.86 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.635 0.731 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 136' ' ' GLN . 53.5 Cg_endo -69.81 176.54 6.67 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.366 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.766 ' HB1' ' HB3' ' A' ' 111' ' ' PHE . . . -62.96 -45.91 90.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -50.2 -54.67 18.53 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -43.4 -29.47 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.721 0.296 . . . . 0.0 111.067 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.548 HG23 ' CE1' ' A' ' 61' ' ' PHE . 55.7 mt -76.31 -71.72 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.716 HG21 HG23 ' A' ' 93' ' ' THR . 17.4 m -46.58 -53.92 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.587 ' N ' HG23 ' A' ' 142' ' ' VAL . 98.2 m -41.87 -51.44 4.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.123 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' PHE . . . . . 0.409 ' O ' HG12 ' A' ' 148' ' ' VAL . 70.7 t80 -59.73 -30.26 68.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.642 HD12 ' HA ' ' A' ' 142' ' ' VAL . 71.0 mt -73.44 -73.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . 0.428 ' HA ' HD12 ' A' ' 150' ' ' LEU . 5.5 p -47.02 -23.41 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.186 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 143' ' ' THR . 10.6 mmtp -67.54 -57.25 6.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.687 HG13 HD22 ' A' ' 149' ' ' LEU . 9.7 p -88.17 -49.04 14.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.687 HD22 HG13 ' A' ' 148' ' ' VAL . 4.5 mm? -58.04 -62.57 1.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 146' ' ' THR . 10.4 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.755 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.824 0.345 . . . . 0.0 110.931 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.459 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 1.1 ptp180 -76.64 -23.55 53.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 35.3 tp60 -65.45 -28.4 69.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.2 130.44 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.499 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.64 119.19 23.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.784 0.326 . . . . 0.0 111.087 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.524 ' HB2' ' NZ ' ' A' ' 62' ' ' LYS . . . -143.42 126.8 16.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.9 p -159.78 160.24 33.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 t -81.34 128.05 33.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.8 m -115.94 -175.52 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.141 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.767 ' C ' HD13 ' A' ' 24' ' ' LEU . 2.2 tm? -119.63 117.34 28.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.517 ' N ' HD13 ' A' ' 24' ' ' LEU . 48.6 t80 -85.46 99.02 10.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.946 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.505 HD11 ' HB2' ' A' ' 130' ' ' ALA . 55.7 mt -61.69 -69.25 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.3 t -170.93 160.0 6.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.0 p -119.46 122.6 42.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.622 ' O ' HG23 ' A' ' 31' ' ' THR . 55.8 t -113.69 111.39 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.159 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -47.12 116.29 1.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.622 HG23 ' O ' ' A' ' 29' ' ' VAL . 71.5 p -112.91 38.13 2.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.093 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 31' ' ' THR . 1.3 pp20? -34.47 -53.3 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.429 ' N ' ' CD ' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -86.44 -45.96 10.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 -179.787 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 31' ' ' THR . 2.3 mm? -61.9 135.57 57.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.7 t -155.23 164.71 38.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.29 -155.59 40.27 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -8.86 24.67 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.686 2.257 . . . . 0.0 112.319 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.1 tp60 -83.65 -48.75 9.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -47.73 -40.9 21.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.499 HG22 ' SG ' ' A' ' 126' ' ' CYS . 48.3 t -65.2 -36.58 78.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.85 -31.93 71.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.6 ttt85 -62.36 -58.67 6.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.76 -48.74 5.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.057 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.7 m -63.97 -45.93 86.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.8 m -52.15 -45.5 65.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.84 -34.36 62.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.31 -30.93 71.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.8 mt -93.4 -38.99 11.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.4 t -67.08 -53.2 33.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -54.92 151.4 8.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.531 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 21.0 p -157.45 153.84 24.13 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.672 0.749 . . . . 0.0 110.832 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.7 Cg_endo -69.78 175.87 34.93 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.356 -0.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.1 mtm-85 -47.07 138.46 7.57 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.628 0.727 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 176.29 6.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.661 2.241 . . . . 0.0 112.331 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.1 m -114.48 96.59 43.85 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.567 0.698 . . . . 0.0 111.16 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.502 ' HB2' HD11 ' A' ' 24' ' ' LEU . 53.7 Cg_endo -69.73 153.28 69.26 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.736 2.291 . . . . 0.0 112.319 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -124.73 136.32 53.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.462 HG23 ' CD1' ' A' ' 132' ' ' LEU . 2.4 p -86.59 121.05 37.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.133 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.6 m -132.51 -178.29 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.443 ' CG ' ' N ' ' A' ' 61' ' ' PHE . 40.0 t-80 -94.85 163.15 13.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.443 ' N ' ' CG ' ' A' ' 60' ' ' HIS . 8.1 t80 -141.93 133.45 26.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.524 ' NZ ' ' HB2' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -132.56 135.63 46.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.477 HG11 ' CD2' ' A' ' 144' ' ' PHE . 75.7 t -119.08 109.73 27.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 96.2 p -139.54 161.54 37.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.89 -43.16 69.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.068 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 -60.17 -13.27 11.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.16 -155.23 20.93 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 87.2 mt -113.33 148.9 15.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.879 0.371 . . . . 0.0 111.191 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 90.6 m -131.22 138.46 49.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.5 mt -127.15 124.84 40.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.965 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 62.2 m -118.72 138.11 52.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -121.82 146.94 46.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -104.93 -41.43 5.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -71.27 -13.97 62.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 47.86 47.45 18.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -74.04 -39.36 63.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.0 mt -125.71 -49.49 1.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -139.64 -179.22 5.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.555 ' CD2' ' HB2' ' A' ' 80' ' ' ARG . 45.1 t80 -129.38 -64.58 0.89 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.555 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 27.0 ttp180 -124.77 99.41 6.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 25.6 mtp85 -125.76 121.3 32.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.515 ' C ' ' CD2' ' A' ' 82' ' ' HIS . 0.7 OUTLIER -122.25 150.53 42.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -126.05 150.06 68.24 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.692 0.758 . . . . 0.0 110.906 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 167.61 23.99 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.353 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.83 HG23 HD13 ' A' ' 149' ' ' LEU . 13.8 p -77.65 -37.37 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.171 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -56.2 -57.54 11.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.639 ' O ' HG23 ' A' ' 89' ' ' THR . 78.0 p -39.88 -59.65 1.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.8 mt -52.48 97.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 87' ' ' SER . 77.1 p -113.47 -21.77 10.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -139.42 143.69 37.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 46.0 t -172.77 105.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.1 t -156.61 148.17 22.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.665 HG23 HG21 ' A' ' 142' ' ' VAL . 21.4 p -44.08 137.66 3.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.197 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.483 ' OD2' HG12 ' A' ' 40' ' ' VAL . 4.0 t70 -46.67 140.37 5.91 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.577 0.703 . . . . 0.0 110.838 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.42 ' HD2' ' CG ' ' A' ' 94' ' ' ASP . 54.2 Cg_endo -69.72 -31.68 20.2 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 0.0 112.361 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -62.1 -30.4 70.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 22.4 t0 60.57 28.52 18.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -77.72 155.35 31.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 -106.7 128.36 54.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 67.5 t-105 -91.84 107.63 19.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 30.4 m -69.93 92.14 0.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.145 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.421 ' ND2' ' OG ' ' A' ' 108' ' ' SER . 18.8 m-80 -56.24 160.42 4.96 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.602 0.715 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -5.36 16.05 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.695 2.263 . . . . 0.0 112.29 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -96.45 24.72 5.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.896 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 56.95 53.36 44.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.518 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.8 t -156.45 150.24 24.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.372 . . . . 0.0 111.139 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 37.1 p -93.94 155.3 17.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.159 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.421 ' OG ' ' ND2' ' A' ' 102' ' ' ASN . 11.1 p -152.36 130.34 11.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -61.44 133.5 55.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 54.9 mt -84.54 120.52 35.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -133.45 157.26 46.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -170.23 176.47 43.89 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -139.34 173.59 11.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.535 HG22 ' SG ' ' A' ' 126' ' ' CYS . 16.9 t -127.04 114.37 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.13 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -119.57 140.09 51.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -65.6 146.07 55.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.512 ' HG3' HG23 ' A' ' 125' ' ' VAL . 33.5 mttm -59.37 149.23 70.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.557 0.694 . . . . 0.0 110.919 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -46.81 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.71 2.273 . . . . 0.0 112.367 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -84.98 -35.34 12.8 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.432 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.402 ' HA ' ' HD2' ' A' ' 121' ' ' PRO . 45.3 m -109.82 93.27 14.24 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.686 0.755 . . . . 0.0 110.843 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.532 ' HG2' ' CE3' ' A' ' 122' ' ' TRP . 53.5 Cg_endo -69.78 -1.73 8.98 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.329 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.532 ' CE3' ' HG2' ' A' ' 121' ' ' PRO . 1.8 p90 -99.33 -13.35 19.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -105.57 175.55 5.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -146.06 142.85 28.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.512 HG23 ' HG3' ' A' ' 117' ' ' LYS . 96.7 t -130.66 116.59 35.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.535 ' SG ' HG22 ' A' ' 114' ' ' VAL . 34.0 t -92.06 143.39 26.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -116.06 149.17 39.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.581 ' O ' ' CD1' ' A' ' 129' ' ' PHE . 8.0 tp -107.56 146.79 31.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.581 ' CD1' ' O ' ' A' ' 128' ' ' LEU . 34.4 m-85 -152.67 162.19 41.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.505 ' HB2' HD11 ' A' ' 26' ' ' LEU . . . -134.58 149.45 50.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.079 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.38 114.03 2.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.462 ' CD1' HG23 ' A' ' 58' ' ' VAL . 9.2 tt -89.05 -46.49 8.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.97 141.49 25.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.579 0.704 . . . . 0.0 110.858 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -46.01 1.35 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.688 2.259 . . . . 0.0 112.303 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -50.62 -40.0 51.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -107.55 86.63 2.91 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.579 0.704 . . . . 0.0 110.951 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 146.54 60.59 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.36 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.657 ' HA ' HD12 ' A' ' 141' ' ' ILE . . . -42.8 -48.26 5.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -47.69 -53.32 13.51 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.33 -27.11 33.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.779 0.324 . . . . 0.0 111.076 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.657 HD12 ' HA ' ' A' ' 138' ' ' ALA . 51.4 mt -78.79 -71.84 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.665 HG21 HG23 ' A' ' 93' ' ' THR . 8.4 m -46.69 -46.78 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.43 ' N ' HG23 ' A' ' 142' ' ' VAL . 91.9 m -52.76 -58.44 6.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' PHE . . . . . 0.477 ' CD2' HG11 ' A' ' 63' ' ' VAL . 20.6 t80 -49.36 -36.77 22.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 55.0 mt -62.69 -70.41 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . 0.541 HG22 HD22 ' A' ' 150' ' ' LEU . 57.3 p -51.93 -19.8 1.98 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.19 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.33 -41.45 24.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 82.9 t -95.91 -61.82 2.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.83 HD13 HG23 ' A' ' 85' ' ' VAL . 3.6 mm? -49.79 -68.58 0.16 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.541 HD22 HG22 ' A' ' 146' ' ' THR . 8.4 mp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.834 0.35 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -47.42 -42.17 21.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -62.42 -60.07 4.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 73.79 131.15 0.19 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.444 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.34 119.88 33.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 111.066 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.56 135.77 48.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.4 p -157.02 165.89 34.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.404 ' O ' HD22 ' A' ' 132' ' ' LEU . 4.6 t -86.09 130.29 34.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.9 m -112.68 172.97 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.681 HD11 ' CB ' ' A' ' 56' ' ' PRO . 1.3 tm? -103.26 111.53 23.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.534 ' N ' HD13 ' A' ' 24' ' ' LEU . 55.8 t80 -85.05 94.44 8.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.577 HD12 ' HG ' ' A' ' 128' ' ' LEU . 53.4 mt -60.83 -64.02 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.5 t -173.85 163.41 4.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.088 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.0 p -114.4 122.81 47.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.3 t -117.17 123.87 72.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.125 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -60.05 126.72 28.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 32' ' ' GLU . 75.2 p -125.35 35.99 4.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.169 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 31' ' ' THR . 12.8 pt-20 -34.19 -48.21 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 t -91.5 -42.48 10.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 31' ' ' THR . 2.1 mm? -65.64 143.29 57.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.2 t -162.28 171.86 16.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.409 ' HA3' ' HD2' ' A' ' 37' ' ' PRO . . . 70.22 -147.62 44.56 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.482 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.409 ' HD2' ' HA3' ' A' ' 36' ' ' GLY . 52.9 Cg_endo -69.83 -27.5 26.05 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.659 2.24 . . . . 0.0 112.311 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -66.38 -52.89 42.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -44.94 -48.88 11.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.469 HG22 ' SG ' ' A' ' 126' ' ' CYS . 44.3 t -60.84 -30.03 46.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.122 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.68 -58.11 3.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.5 ttt85 -40.02 -59.82 1.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.84 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.678 ' HB3' HD13 ' A' ' 128' ' ' LEU . . . -37.99 -63.63 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.075 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.1 m -41.87 -46.03 3.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.1 t -60.64 -59.75 4.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -47.04 -45.69 21.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.061 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.02 -33.06 10.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.124 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mt -92.92 -41.97 9.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.6 t -66.39 -17.31 64.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 51' ' ' SER . 1.4 t -90.92 14.89 12.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.547 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 68.9 p -36.46 151.39 0.11 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.69 0.757 . . . . 0.0 110.851 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.6 Cg_endo -69.79 150.53 90.37 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 -1.811 . . . . 0.0 112.319 0.075 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 52' ' ' PRO . 32.2 mtt85 -34.67 126.36 0.52 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.619 0.723 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 145.81 58.44 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.721 2.281 . . . . 0.0 112.322 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 91.5 m -78.13 111.63 19.77 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.625 0.726 . . . . 0.0 111.146 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.681 ' CB ' HD11 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.74 169.79 18.06 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.663 2.242 . . . . 0.0 112.376 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -140.19 146.19 38.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.0 m -87.4 137.2 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.619 HG12 ' HA ' ' A' ' 72' ' ' ASP . 21.4 m -142.39 164.3 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -85.51 139.4 31.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -124.39 132.14 53.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -134.85 126.86 29.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.607 HG11 ' CD2' ' A' ' 144' ' ' PHE . 97.8 t -106.7 100.23 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.063 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.4 p -138.51 156.09 47.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -43.93 -56.78 3.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.11 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 65' ' ' ALA . 39.7 tp60 -37.45 -30.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . 142.76 -127.72 3.24 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.452 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 94.2 mt -144.84 128.25 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.38 . . . . 0.0 111.087 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.404 ' O ' HD23 ' A' ' 70' ' ' LEU . 55.0 m -113.68 140.9 47.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.404 HD23 ' O ' ' A' ' 69' ' ' THR . 17.7 mt -132.28 131.23 41.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.946 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 20.7 m -124.17 126.35 46.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.619 ' HA ' HG12 ' A' ' 59' ' ' VAL . 19.2 t0 -111.86 -58.46 2.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 74.96 25.01 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -110.51 -25.38 10.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.438 ' HD3' ' CD1' ' A' ' 79' ' ' PHE . 16.8 mmm180 45.14 42.03 6.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -113.26 -43.01 3.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 23.4 mt -118.07 -40.42 2.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -161.58 133.44 5.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.438 ' CD1' ' HD3' ' A' ' 75' ' ' ARG . 10.2 t80 -93.95 171.49 8.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -41.73 136.49 1.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 83' ' ' TYR . 43.4 mtt180 -148.76 119.15 7.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -99.39 126.32 45.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 81' ' ' ARG . 10.0 m-85 -118.1 134.44 23.34 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.688 0.756 . . . . 0.0 110.928 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 146.49 60.72 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.724 2.282 . . . . 0.0 112.358 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.736 HG23 HD13 ' A' ' 149' ' ' LEU . 12.3 p -45.92 -27.08 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.143 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 87' ' ' SER . 58.2 m-20 -64.16 -63.08 1.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.439 ' O ' HG23 ' A' ' 89' ' ' THR . 28.3 t -35.88 -59.31 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 29.3 mt -55.31 111.55 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.075 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 87' ' ' SER . 46.0 p -117.9 -47.04 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -119.73 138.01 53.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.8 t -160.73 112.0 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 m -161.35 156.6 24.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.572 HG23 HG21 ' A' ' 142' ' ' VAL . 1.2 p -58.03 142.76 45.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.193 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.432 ' CG ' ' HD2' ' A' ' 95' ' ' PRO . 7.0 t70 -36.0 139.98 0.39 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.606 0.717 . . . . 0.0 110.823 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.461 ' HG2' ' NE2' ' A' ' 96' ' ' GLN . 54.1 Cg_endo -69.83 -37.04 9.55 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.659 2.239 . . . . 0.0 112.341 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.461 ' NE2' ' HG2' ' A' ' 95' ' ' PRO . 26.2 mp0 -80.58 -26.78 37.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.0 t70 65.2 37.1 6.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -65.45 159.2 24.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -101.35 127.79 47.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.562 ' CD1' HD21 ' A' ' 26' ' ' LEU . 33.9 t-105 -91.0 103.1 15.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 31.3 m -72.12 92.01 1.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.114 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -46.7 160.49 0.32 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.606 0.717 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 1.55 4.39 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 0.0 112.319 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -96.58 -39.22 9.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 129.29 26.7 0.87 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.466 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 34.2 p -130.25 151.41 50.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.9 0.381 . . . . 0.0 111.135 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 41.2 p -88.48 157.76 18.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 43.0 m -154.66 153.41 31.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.81 133.01 40.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.872 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 62.7 mt -99.47 122.85 51.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -140.05 164.63 29.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 175.95 162.86 27.66 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.415 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 3.9 p90 -115.36 176.82 4.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.924 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 22.5 t -123.85 103.74 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -109.55 142.15 41.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 33.5 mttm -70.38 153.15 43.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.442 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 7.6 ttmm -64.13 138.72 97.5 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.564 0.697 . . . . 0.0 110.906 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.442 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 53.5 Cg_endo -69.74 -2.33 9.97 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.365 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -117.91 -33.28 1.29 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.471 ' HB3' ' CE2' ' A' ' 122' ' ' TRP . 73.9 m -133.27 120.84 16.23 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.642 0.734 . . . . 0.0 110.865 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -19.12 36.8 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.676 2.25 . . . . 0.0 112.376 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.471 ' CE2' ' HB3' ' A' ' 120' ' ' SER . 38.1 p90 -86.87 -16.34 36.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.417 ' HG2' ' CD1' ' A' ' 122' ' ' TRP . 17.4 mt-10 -101.7 116.43 32.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 31' ' ' THR . 5.3 m-80 -98.36 144.63 27.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 89.6 t -133.89 105.06 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.469 ' SG ' HG22 ' A' ' 40' ' ' VAL . 46.7 t -84.35 137.35 33.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -107.74 122.88 47.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.678 HD13 ' HB3' ' A' ' 43' ' ' ALA . 9.2 tp -81.84 146.41 29.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -152.34 172.06 17.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -149.96 159.21 44.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.067 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.627 ' HG3' ' HB2' ' A' ' 138' ' ' ALA . 93.0 mt-10 -60.54 115.11 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.511 HD23 ' C ' ' A' ' 132' ' ' LEU . 7.4 tt -95.17 -45.69 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 10.8 p30 -108.96 138.6 20.4 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.643 0.735 . . . . 0.0 110.879 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -45.68 1.51 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.308 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.402 ' OD1' ' OE1' ' A' ' 136' ' ' GLN . 0.6 OUTLIER -48.4 -47.18 37.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . 0.402 ' OE1' ' OD1' ' A' ' 135' ' ' ASP . 7.4 mp0 -104.46 101.65 28.9 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.575 0.702 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 153.64 68.61 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.668 2.245 . . . . 0.0 112.332 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.627 ' HB2' ' HG3' ' A' ' 131' ' ' GLU . . . -47.15 -50.11 21.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.087 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -47.68 -58.64 6.61 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.523 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -42.65 -35.99 1.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.75 0.309 . . . . 0.0 111.114 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.452 HD12 ' HA ' ' A' ' 138' ' ' ALA . 58.9 mt -69.2 -73.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.137 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.622 ' HA ' HD12 ' A' ' 145' ' ' ILE . 6.4 m -48.34 -51.42 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.479 ' N ' HG23 ' A' ' 142' ' ' VAL . 88.3 m -48.49 -60.71 2.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.186 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' PHE . . . . . 0.607 ' CD2' HG11 ' A' ' 63' ' ' VAL . 14.5 t80 -48.51 -51.6 26.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 142' ' ' VAL . 64.2 mt -46.92 -57.42 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . 0.841 ' HB ' HD12 ' A' ' 150' ' ' LEU . 28.8 p -61.69 -40.49 95.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -55.16 -39.64 69.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 74.8 t -92.58 -63.56 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.082 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.736 HD13 HG23 ' A' ' 85' ' ' VAL . 1.2 mm? -48.81 -70.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.841 HD12 ' HB ' ' A' ' 146' ' ' THR . 64.6 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.9 mt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.829 0.347 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.4 mtp85 -45.8 -25.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -93.31 -179.08 4.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.78 138.59 5.77 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.513 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.42 119.36 35.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 111.083 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.5 125.38 16.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.2 m -162.74 -178.01 5.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.58 ' HB3' HD21 ' A' ' 132' ' ' LEU . 3.3 m -92.2 152.77 19.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.577 ' C ' HD23 ' A' ' 132' ' ' LEU . 33.7 m -140.45 163.95 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.122 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.615 ' C ' HD13 ' A' ' 24' ' ' LEU . 2.7 tm? -95.22 121.77 37.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.574 ' N ' HD13 ' A' ' 24' ' ' LEU . 64.5 t80 -90.81 111.1 22.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.955 HD12 ' HG ' ' A' ' 128' ' ' LEU . 22.3 mt -80.05 -64.2 1.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.4 t -173.42 168.99 4.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.5 p -127.9 113.68 16.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.512 HG21 ' HA ' ' A' ' 43' ' ' ALA . 39.7 t -102.78 127.24 56.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.118 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -57.35 124.03 17.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.9 HG21 ' HB1' ' A' ' 39' ' ' ALA . 71.9 p -118.98 34.82 5.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -47.8 -40.81 22.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.8 t -89.38 -34.87 16.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.409 ' C ' HG22 ' A' ' 35' ' ' THR . 2.6 mt -80.96 163.86 22.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.409 HG22 ' C ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -175.25 154.21 1.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.111 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.34 -149.01 30.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.533 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.411 ' HD3' ' CE2' ' A' ' 90' ' ' PHE . 54.2 Cg_endo -69.71 -7.29 20.67 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.37 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' A' ' 41' ' ' ALA . 15.7 tp60 -82.05 -65.56 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.9 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -34.37 -41.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.2 t -64.63 -45.57 95.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 38' ' ' GLN . . . -62.99 -21.93 66.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.081 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 -77.53 -57.92 3.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.512 ' HA ' HG21 ' A' ' 29' ' ' VAL . . . -38.86 -60.35 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.9 m -49.89 -50.2 46.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 m -51.63 -35.19 40.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.7 -29.02 24.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.104 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.36 -25.75 66.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.072 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.542 HD11 ' HD3' ' A' ' 98' ' ' ARG . 7.8 mt -93.87 -35.37 12.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.7 m -64.87 -53.07 52.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 30.2 t -43.91 137.34 3.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.521 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 37.1 p -149.27 132.4 8.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.685 0.755 . . . . 0.0 110.896 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.3 Cg_endo -69.74 149.51 88.65 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.674 -1.803 . . . . 0.0 112.323 0.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.9 ptp85 -40.69 145.27 0.54 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.646 0.736 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 146.75 61.09 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.693 2.262 . . . . 0.0 112.311 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.0 m -86.21 110.51 31.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.6 0.714 . . . . 0.0 111.131 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.516 ' CB ' HD11 ' A' ' 24' ' ' LEU . 53.4 Cg_endo -69.78 172.83 11.95 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.667 2.244 . . . . 0.0 112.332 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.32 140.97 25.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.5 t -81.83 126.86 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.9 m -139.41 157.57 27.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -76.98 143.5 39.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -128.54 142.69 50.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -146.77 141.25 26.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.7 t -119.28 113.26 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.0 t -140.65 178.65 7.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.826 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.01 -36.97 75.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.102 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -63.75 -10.39 19.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 120.66 -157.03 15.95 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.516 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.645 HG12 HD11 ' A' ' 88' ' ' ILE . 14.2 mm -92.91 149.44 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 111.139 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 m -133.37 117.26 17.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.48 128.93 54.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 94.1 m -135.73 135.01 39.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -122.17 159.82 26.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -112.89 -15.6 12.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -80.31 -33.26 37.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 59.56 36.26 22.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.9 mmmt -81.73 -63.44 1.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.9 mt -80.77 -48.29 12.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -162.34 178.38 8.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 80' ' ' ARG . 16.9 t80 -113.89 173.0 6.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 79' ' ' PHE . 7.7 ptm180 -34.53 143.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -157.99 140.09 14.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -102.69 138.98 38.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -111.8 125.62 29.99 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.629 0.728 . . . . 0.0 110.96 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.491 ' O ' ' N ' ' A' ' 86' ' ' ASN . 53.7 Cg_endo -69.74 122.49 9.17 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.718 2.279 . . . . 0.0 112.327 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.682 HG23 HD12 ' A' ' 149' ' ' LEU . 7.7 p -36.57 -29.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' A' ' 84' ' ' PRO . 11.2 m120 -63.44 -50.98 67.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.7 p -44.04 -51.62 7.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.645 HD11 HG12 ' A' ' 68' ' ' ILE . 13.5 mt -59.01 123.92 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.116 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.99 ' O ' HD21 ' A' ' 150' ' ' LEU . 37.3 p -124.92 -44.24 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.411 ' CE2' ' HD3' ' A' ' 37' ' ' PRO . 29.5 t80 -137.54 125.57 22.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.5 t -141.0 115.36 9.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.4 t -166.92 148.13 5.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.702 HG23 HG21 ' A' ' 142' ' ' VAL . 1.7 p -47.49 151.85 0.73 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -60.51 138.79 92.61 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.582 0.706 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -27.95 26.12 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -67.7 -29.08 68.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 22.7 t0 59.52 37.55 22.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.542 ' HD3' HD11 ' A' ' 48' ' ' LEU . 9.4 mtp85 -84.55 164.02 18.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -109.12 149.48 29.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.459 ' CD2' HD22 ' A' ' 26' ' ' LEU . 67.4 t-105 -113.68 110.96 21.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.1 m -73.94 90.89 1.97 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.135 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.423 ' HB2' HG22 ' A' ' 106' ' ' THR . 55.2 m-20 -41.8 155.47 0.23 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.616 0.722 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -3.1 11.34 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.715 2.277 . . . . 0.0 112.36 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -95.69 -40.5 9.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 132.14 60.6 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.536 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.423 HG22 ' HB2' ' A' ' 102' ' ' ASN . 7.1 t -166.19 158.13 13.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.898 0.38 . . . . 0.0 111.104 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 72.9 p -101.59 156.32 17.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 45.8 m -154.63 157.41 38.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -80.14 128.39 33.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 89.1 mt -81.58 143.81 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.519 ' CE1' ' HB3' ' A' ' 129' ' ' PHE . 4.3 p90 -160.17 164.24 33.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 179.35 170.54 41.32 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -134.99 158.56 44.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.885 0.374 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t -107.56 107.16 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -118.04 157.35 26.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.059 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 58.9 mttt -64.8 144.13 57.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -61.72 135.99 94.54 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.605 0.717 . . . . 0.0 110.868 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -1.48 8.56 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.716 2.278 . . . . 0.0 112.309 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -121.41 -19.49 3.47 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.432 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.445 ' HA ' ' HD2' ' A' ' 121' ' ' PRO . 4.7 m -144.85 105.09 4.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.704 0.764 . . . . 0.0 110.875 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.445 ' HD2' ' HA ' ' A' ' 120' ' ' SER . 53.5 Cg_endo -69.75 -4.5 14.15 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.731 2.287 . . . . 0.0 112.339 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 5.9 p90 -96.08 9.26 41.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -137.04 170.6 15.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 31' ' ' THR . 5.1 p30 -142.46 132.61 24.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -135.08 127.76 48.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.113 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 31.3 t -83.92 160.05 21.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -130.64 93.77 3.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.955 ' HG ' HD12 ' A' ' 26' ' ' LEU . 8.9 tp -49.78 156.86 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.519 ' HB3' ' CE1' ' A' ' 111' ' ' PHE . 17.7 m-85 -160.14 172.42 17.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.511 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -152.23 144.57 24.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.089 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.98 97.68 1.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.58 HD21 ' HB3' ' A' ' 22' ' ' SER . 0.6 OUTLIER -78.51 -24.28 45.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -105.39 119.53 52.55 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.595 0.712 . . . . 0.0 110.893 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -13.03 34.26 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.711 2.274 . . . . 0.0 112.345 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -68.22 -25.95 65.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -145.76 117.39 5.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.55 0.69 . . . . 0.0 110.953 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 162.12 43.31 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.643 2.229 . . . . 0.0 112.324 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.442 ' HA ' HD12 ' A' ' 141' ' ' ILE . . . -61.23 -45.28 95.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -46.11 -56.2 7.06 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.456 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -48.36 -33.55 9.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.768 0.318 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 138' ' ' ALA . 40.0 mt -74.46 -72.86 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.702 HG21 HG23 ' A' ' 93' ' ' THR . 6.3 m -43.7 -38.99 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 55.3 m -61.74 -48.1 82.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.159 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -62.52 -25.01 67.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 67.5 mt -70.87 -71.92 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . 0.52 HG22 ' O ' ' A' ' 142' ' ' VAL . 0.1 OUTLIER -50.25 -38.36 40.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -55.39 -43.69 75.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 96.4 t -94.59 -63.08 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.682 HD12 HG23 ' A' ' 85' ' ' VAL . 3.9 mm? -51.24 -57.68 8.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.99 HD21 ' O ' ' A' ' 89' ' ' THR . 8.2 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.5 p -159.07 112.78 2.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.369 . . . . 0.0 110.87 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.1 p -89.8 173.95 7.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.84 144.47 6.35 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.52 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.7 p -119.37 119.12 33.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 0.0 110.871 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -51.01 159.65 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.22 45.1 1.37 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.0 72.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.744 0.307 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.8 p -71.64 -62.24 1.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.8 p -151.9 132.86 14.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.097 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.07 -24.19 21.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -49.42 -56.18 10.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -51.17 -41.46 60.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.6 mt -62.76 -55.56 25.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 15' ' ' LEU . 16.6 mt -49.16 -47.15 46.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.448 ' CZ ' ' HB3' ' A' ' 16' ' ' ARG . 9.0 mtp-105 -39.41 -38.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.414 ' O ' ' CZ ' ' A' ' 144' ' ' PHE . 27.2 mm-40 -94.59 130.22 41.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -140.66 142.47 12.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.22 121.4 36.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.783 0.325 . . . . 0.0 111.114 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.85 120.13 11.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.1 m -165.55 -178.67 5.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.829 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.478 ' HB2' ' CD2' ' A' ' 132' ' ' LEU . 5.5 m -82.37 144.53 30.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.2 m -127.32 178.09 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.078 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.604 HD11 ' HB2' ' A' ' 56' ' ' PRO . 3.2 tm? -109.21 110.79 22.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -78.75 108.81 12.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.568 HD11 ' HB2' ' A' ' 130' ' ' ALA . 85.6 mt -81.65 -72.96 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.966 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.444 ' O ' ' CB ' ' A' ' 128' ' ' LEU . 15.2 t -174.04 155.17 2.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 p -118.82 133.35 55.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 55.9 t -120.77 140.04 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -72.92 125.02 26.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.802 HG21 ' HB1' ' A' ' 39' ' ' ALA . 64.8 p -110.54 34.87 3.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 31' ' ' THR . 2.2 pt-20 -34.64 -43.85 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.4 t -100.39 -33.25 10.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -74.83 153.51 38.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.926 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 t -171.23 169.61 6.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.34 -155.3 53.01 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -4.56 14.29 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.655 2.236 . . . . 0.0 112.363 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -86.88 -49.61 7.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.932 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.802 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -45.39 -45.08 12.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.2 t -61.43 -30.59 48.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.47 -39.49 67.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.9 ttt85 -56.65 -66.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -38.4 -49.17 1.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.084 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.9 m -54.49 -49.49 70.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.4 t -62.76 -37.25 85.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.826 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.5 -16.17 58.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.09 -32.36 56.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.697 HD11 ' HG2' ' A' ' 98' ' ' ARG . 4.3 mt -97.88 -27.82 14.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.977 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 m -64.2 -52.27 59.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 50.1 t -71.65 137.42 47.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.493 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 1.5 m -139.22 160.79 60.8 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.619 0.724 . . . . 0.0 110.888 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.4 Cg_endo -69.84 155.12 93.63 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.3 0.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 52' ' ' PRO . 2.8 ppt_? -34.26 144.32 0.19 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.559 0.695 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 160.02 51.26 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.715 2.277 . . . . 0.0 112.32 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.3 m -103.69 94.31 6.06 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.544 0.688 . . . . 0.0 111.184 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.604 ' HB2' HD11 ' A' ' 24' ' ' LEU . 54.2 Cg_endo -69.73 153.03 69.57 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.653 2.236 . . . . 0.0 112.371 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.666 ' HB1' ' OE1' ' A' ' 74' ' ' GLN . . . -131.13 156.47 45.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.0 m -84.6 133.6 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.4 m -140.62 -175.69 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.167 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.431 ' N ' ' O ' ' A' ' 71' ' ' THR . 57.9 t-80 -104.0 148.53 26.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -136.33 131.21 34.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -136.6 133.0 35.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.4 t -107.05 108.23 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.6 m -133.06 156.25 47.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.91 -21.28 28.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.07 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -76.04 -3.35 35.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 124.79 -129.71 7.16 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.406 HG13 HD13 ' A' ' 88' ' ' ILE . 94.2 mt -137.88 121.76 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.378 . . . . 0.0 111.092 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.702 HG23 ' HB2' ' A' ' 82' ' ' HIS . 21.3 m -111.64 140.78 45.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.91 146.91 52.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 60' ' ' HIS . 44.3 m -148.93 131.52 15.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -110.05 171.03 7.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -126.92 10.23 6.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.666 ' OE1' ' HB1' ' A' ' 57' ' ' ALA . 12.2 pt20 -97.02 -34.03 11.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.429 ' NH1' ' HB2' ' A' ' 75' ' ' ARG . 25.8 mtm105 62.13 49.46 4.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.442 ' CE ' ' HA ' ' A' ' 76' ' ' LYS . 2.3 mmpt? -109.14 -70.62 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.6 mt -80.99 -28.99 35.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.931 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -169.28 172.53 7.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -108.84 -60.0 1.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.4 ' HE ' HG21 ' A' ' 71' ' ' THR . 74.0 mtt180 -151.29 124.98 9.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -142.5 143.83 32.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.702 ' HB2' HG23 ' A' ' 69' ' ' THR . 10.0 t60 -146.61 152.07 38.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -120.02 143.98 36.59 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.671 0.748 . . . . 0.0 110.918 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 153.96 68.04 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.626 2.217 . . . . 0.0 112.338 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.699 HG23 HD13 ' A' ' 149' ' ' LEU . 7.2 p -68.41 -19.71 24.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -75.21 -1.55 23.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.0 p -105.44 -63.96 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.406 HD13 HG13 ' A' ' 68' ' ' ILE . 24.5 mt -47.1 111.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.72 -26.89 8.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' ' 91' ' ' SER . 16.7 t80 -134.75 149.72 50.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.445 ' O ' ' CG2' ' A' ' 146' ' ' THR . 31.2 t -174.5 116.27 0.19 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.0 t -174.24 149.56 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.864 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.48 HG23 HG21 ' A' ' 142' ' ' VAL . 0.8 OUTLIER -44.01 142.66 1.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.111 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.484 ' OD2' ' N ' ' A' ' 97' ' ' ASP . 0.5 OUTLIER -49.1 139.18 13.07 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.629 0.728 . . . . 0.0 110.852 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -38.75 7.48 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.741 2.294 . . . . 0.0 112.378 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -64.0 -7.63 9.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.484 ' N ' ' OD2' ' A' ' 94' ' ' ASP . 17.5 t70 47.34 38.74 7.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.697 ' HG2' HD11 ' A' ' 48' ' ' LEU . 6.5 tpt180 -77.56 160.81 28.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.435 ' NH1' ' HD3' ' A' ' 109' ' ' LYS . 31.5 mmt180 -118.68 149.79 40.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 56.6 t-105 -110.69 104.36 13.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.0 m -71.05 96.16 1.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.173 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -52.66 158.41 2.15 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.597 0.713 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 0.98 4.86 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.314 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -92.79 -24.13 18.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 112.42 42.67 0.95 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.475 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 15.4 t -153.85 155.69 36.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.877 0.37 . . . . 0.0 111.125 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 40.9 p -102.48 153.64 19.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.5 m -142.87 149.07 38.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.435 ' HD3' ' NH1' ' A' ' 99' ' ' ARG . 12.2 tptm -66.7 128.11 35.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 61.8 mt -89.35 135.28 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -147.23 152.06 37.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.16 169.38 41.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -132.21 171.47 13.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.906 0.384 . . . . 0.0 110.886 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.4 t -123.4 126.2 72.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.156 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -139.6 163.35 32.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.085 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.88 133.03 34.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.474 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 4.4 ttmm -47.22 140.46 6.89 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.609 0.718 . . . . 0.0 110.881 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 53.5 Cg_endo -69.73 -12.96 34.04 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.714 2.276 . . . . 0.0 112.345 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -106.28 -19.82 9.68 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.509 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 29.8 m -149.51 118.3 3.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.693 0.759 . . . . 0.0 110.861 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -29.63 23.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.689 2.259 . . . . 0.0 112.387 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.409 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 33.8 p90 -78.9 -6.27 55.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.409 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 30.2 mt-10 -108.43 116.78 32.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 124' ' ' ASN . 0.3 OUTLIER -99.12 146.95 25.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -153.28 119.89 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.41 ' SG ' ' CG2' ' A' ' 31' ' ' THR . 7.4 p -89.64 149.16 22.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -115.98 115.05 25.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.444 ' CB ' ' O ' ' A' ' 27' ' ' THR . 8.8 tp -82.01 140.12 34.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -140.79 166.16 25.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.568 ' HB2' HD11 ' A' ' 26' ' ' LEU . . . -138.0 157.76 45.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -66.82 125.44 25.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.478 ' CD2' ' HB2' ' A' ' 22' ' ' SER . 7.1 tp -99.81 -52.99 3.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.921 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -115.55 147.47 38.91 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.621 0.724 . . . . 0.0 110.866 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -45.39 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.663 2.242 . . . . 0.0 112.364 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -43.56 -47.94 7.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -112.81 84.01 6.32 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 156.73 62.65 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.701 2.267 . . . . 0.0 112.357 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.65 ' O ' HG22 ' A' ' 142' ' ' VAL . . . -51.24 -49.74 60.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -49.69 -42.38 36.31 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.518 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -70.95 -21.46 62.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.742 0.306 . . . . 0.0 111.087 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 68.2 mt -83.94 -69.08 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.098 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.65 HG22 ' O ' ' A' ' 138' ' ' ALA . 2.0 m -47.23 -44.11 8.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 21.8 m -51.71 -63.27 1.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' PHE . . . . . 0.414 ' CZ ' ' O ' ' A' ' 17' ' ' GLN . 20.0 t80 -42.53 -37.42 1.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 45.7 mt -65.86 -59.2 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.11 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.698 ' HA ' HD13 ' A' ' 150' ' ' LEU . 50.6 p -58.81 -15.36 11.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -84.41 -43.56 14.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.958 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 53.1 t -94.81 -70.4 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.699 HD13 HG23 ' A' ' 85' ' ' VAL . 3.9 mm? -38.72 -59.96 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.698 HD13 ' HA ' ' A' ' 146' ' ' THR . 6.1 mp -74.52 -73.72 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 126.68 73.18 0.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -125.33 132.47 52.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.812 0.339 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . 0.401 ' CD ' ' H ' ' A' ' 153' ' ' ARG . 0.0 OUTLIER -40.66 159.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.89 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -71.57 146.66 48.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 30.7 t -85.09 -67.85 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -65.74 144.73 47.35 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.51 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 178.7 4.3 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.706 2.271 . . . . 0.0 112.322 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.1 t -174.54 115.84 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 11.1 m -75.35 157.54 34.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.442 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.8 p -49.7 158.13 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 110.822 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 t -94.5 168.8 10.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.7 85.12 1.08 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.452 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -118.89 88.51 2.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.358 . . . . 0.0 110.794 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.0 m -41.81 -59.06 1.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.75 75.38 2.37 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.3 ptm -101.71 -23.32 14.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 m -111.31 32.5 5.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.866 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.2 p -111.73 94.9 5.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.174 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.85 -45.72 23.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.52 -48.34 57.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.097 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.97 -53.31 57.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 15' ' ' LEU . 2.5 mt -42.07 -62.91 0.83 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 14' ' ' LEU . 81.5 mt -34.85 -60.76 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -38.47 -46.33 1.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -64.95 -50.92 64.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.04 137.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.11 120.53 31.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.831 0.348 . . . . 0.0 111.126 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.77 124.8 12.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.065 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.0 p -160.11 177.65 10.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.6 m -90.53 135.21 33.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.408 HG13 ' HB2' ' A' ' 61' ' ' PHE . 35.2 m -118.78 167.85 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.137 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.474 ' C ' HD13 ' A' ' 24' ' ' LEU . 3.1 tm? -100.99 113.6 26.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -83.05 103.47 12.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.633 HD12 ' HG ' ' A' ' 128' ' ' LEU . 52.9 mt -75.01 -72.92 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.957 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.8 t -165.78 -179.79 5.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.3 m -141.58 122.34 14.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.3 t -116.53 152.51 18.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.131 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -75.35 125.09 28.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 78.3 p -121.59 37.54 4.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.109 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -44.65 -46.61 10.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.26 -26.75 18.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.734 HD13 ' HB3' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -81.0 152.34 28.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.865 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 7.8 t -167.91 -175.68 2.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.427 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . 45.25 -144.25 2.95 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.402 ' HD2' ' HA3' ' A' ' 36' ' ' GLY . 53.6 Cg_endo -69.75 -1.85 9.17 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.734 ' HB3' HD13 ' A' ' 34' ' ' LEU . 11.9 mt-30 -86.35 -46.98 9.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.72 -53.23 60.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.068 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.6 t -57.99 -35.93 54.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.141 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.619 ' HB2' ' HG3' ' A' ' 95' ' ' PRO . . . -73.27 -29.34 62.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.093 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -69.24 -64.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.23 -58.12 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.491 ' HA ' HD21 ' A' ' 128' ' ' LEU . 1.2 p -55.85 -49.12 74.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.0 t -51.73 -44.53 63.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 48' ' ' LEU . . . -71.87 -58.93 3.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.112 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -38.04 -26.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 46' ' ' ALA . 13.4 mt -99.22 -43.58 6.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.1 t -66.45 -53.72 32.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -67.55 148.57 51.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.509 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 1.2 p -149.56 159.55 36.11 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.666 0.746 . . . . 0.0 110.888 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.7 Cg_endo -69.82 167.32 71.63 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.623 -1.824 . . . . 0.0 112.353 0.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.04 143.06 98.26 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.622 0.725 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 164.12 35.71 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.721 2.281 . . . . 0.0 112.331 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 99.7 m -99.47 102.33 16.1 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.627 0.727 . . . . 0.0 111.187 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 171.17 14.91 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.695 2.263 . . . . 0.0 112.358 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.67 153.44 38.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.1 t -83.64 131.6 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.159 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.589 HG12 ' CG ' ' A' ' 72' ' ' ASP . 25.6 m -142.08 173.59 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -93.59 150.04 20.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.408 ' HB2' HG13 ' A' ' 23' ' ' VAL . 16.6 t80 -135.05 139.15 44.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -150.87 150.2 30.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.3 t -134.75 117.03 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 t -142.77 -179.42 6.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.86 -14.66 35.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.08 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -91.48 14.87 13.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.71 -146.17 18.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.46 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.422 HG13 ' CD1' ' A' ' 88' ' ' ILE . 67.9 mt -103.78 142.52 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 111.147 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 54.5 m -133.98 136.1 43.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.175 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.4 mt -132.09 148.73 52.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.0 m -140.0 116.67 10.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.097 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.589 ' CG ' HG12 ' A' ' 59' ' ' VAL . 23.6 t0 -108.53 121.99 46.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -91.93 10.05 30.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -101.83 -18.41 15.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 52.8 mtt85 43.73 50.08 6.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.459 ' CE ' ' HA ' ' A' ' 76' ' ' LYS . 2.5 mmpt? -102.62 -63.33 1.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.483 HD22 ' N ' ' A' ' 77' ' ' LEU . 3.3 mm? -97.56 -47.45 5.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.525 ' CE1' HG11 ' A' ' 59' ' ' VAL . 22.7 p90 -147.77 121.19 9.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 79' ' ' PHE . 1.8 t80 -63.55 -72.43 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 32.3 ttt85 -145.54 122.52 11.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -124.85 135.05 52.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -120.07 122.85 42.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -111.35 127.93 26.14 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.707 0.765 . . . . 0.0 110.937 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.417 ' HG2' ' CB ' ' A' ' 87' ' ' SER . 54.1 Cg_endo -69.71 143.73 52.02 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.812 HG23 HD13 ' A' ' 149' ' ' LEU . 2.8 p -47.57 -45.56 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' A' ' 87' ' ' SER . 17.4 t30 -55.08 -61.98 1.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 86' ' ' ASN . 13.6 t -36.06 -40.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.824 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.422 ' CD1' HG13 ' A' ' 68' ' ' ILE . 69.2 mt -79.27 123.82 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 37.4 p -125.25 -24.3 4.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -139.33 138.5 36.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.472 ' O ' ' CG2' ' A' ' 146' ' ' THR . 4.1 t -165.98 112.3 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.6 t -161.88 149.67 14.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.716 ' N ' HG11 ' A' ' 142' ' ' VAL . 1.1 p -47.83 162.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -67.06 140.28 95.84 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.652 0.739 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.619 ' HG3' ' HB2' ' A' ' 41' ' ' ALA . 53.8 Cg_endo -69.71 -42.25 3.63 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.72 2.28 . . . . 0.0 112.327 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -63.49 -15.42 57.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 51.75 30.42 6.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? -69.75 156.35 39.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 -107.67 138.06 44.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 35.0 t-105 -100.64 123.27 44.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 22.6 m -81.0 100.8 9.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -54.45 151.79 13.4 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.657 0.741 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 2.38 3.58 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.341 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -99.17 -25.37 14.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 115.31 58.3 0.35 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.2 t -167.82 149.77 5.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.905 0.383 . . . . 0.0 111.127 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 46.5 p -94.88 150.18 20.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.9 m -146.99 169.48 19.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 68.6 tttt -86.42 148.57 25.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 75.2 mt -103.17 142.7 16.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.485 ' HB3' ' HB1' ' A' ' 138' ' ' ALA . 5.9 p90 -160.93 166.91 27.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 177.5 -170.22 42.6 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.487 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -148.86 166.43 28.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.9 0.381 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.7 t -116.38 114.19 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -118.26 153.72 33.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -80.64 145.8 31.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.52 ' HG3' HG23 ' A' ' 125' ' ' VAL . 20.2 mtpt -64.8 148.37 97.32 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 0.0 110.902 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -33.02 17.43 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.687 2.258 . . . . 0.0 112.355 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -103.23 -21.69 9.8 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.486 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 56.0 m -119.15 83.9 25.89 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.639 0.733 . . . . 0.0 110.894 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -2.11 9.64 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.665 2.243 . . . . 0.0 112.303 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 6.8 p90 -103.13 -4.74 24.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -115.23 165.15 13.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -127.12 141.95 51.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.52 HG23 ' HG3' ' A' ' 117' ' ' LYS . 48.5 t -135.13 115.16 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 42.8 t -95.9 144.52 26.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -117.15 127.06 53.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.633 ' HG ' HD12 ' A' ' 26' ' ' LEU . 10.2 tp -86.91 140.22 29.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -145.16 172.52 12.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.426 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -147.67 137.45 22.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.435 ' O ' ' CD ' ' A' ' 131' ' ' GLU . 3.0 pp20? -52.49 115.17 1.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 10.3 tt -83.15 -57.16 3.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.409 ' CG ' ' HD2' ' A' ' 134' ' ' PRO . 4.7 t70 -92.23 143.33 27.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.523 0.677 . . . . 0.0 110.866 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.409 ' HD2' ' CG ' ' A' ' 133' ' ' ASP . 54.1 Cg_endo -69.75 -48.37 0.74 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.647 2.231 . . . . 0.0 112.356 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.52 -39.47 34.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.832 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -118.86 82.07 20.23 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.711 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 178.02 4.95 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.722 2.281 . . . . 0.0 112.367 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.82 ' HA ' HD12 ' A' ' 141' ' ' ILE . . . -64.24 -48.88 74.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.083 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -48.88 -46.54 31.99 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.464 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.58 -23.95 67.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.811 0.339 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.82 HD12 ' HA ' ' A' ' 138' ' ' ALA . 41.0 mt -79.03 -72.01 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.716 HG11 ' N ' ' A' ' 93' ' ' THR . 3.1 m -39.52 -43.92 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.44 ' O ' ' CG ' ' A' ' 147' ' ' LYS . 98.9 m -58.27 -55.01 40.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' PHE . . . . . 0.42 ' O ' HG12 ' A' ' 148' ' ' VAL . 48.3 t80 -55.52 -27.67 50.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.448 HG23 ' HG ' ' A' ' 149' ' ' LEU . 60.7 mt -75.7 -71.77 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.593 ' HA ' HD13 ' A' ' 150' ' ' LEU . 16.2 p -47.92 -20.51 0.32 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 143' ' ' THR . 21.8 mmtt -72.31 -52.61 15.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.581 HG13 ' N ' ' A' ' 149' ' ' LEU . 8.6 p -91.7 -49.97 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.093 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.812 HD13 HG23 ' A' ' 85' ' ' VAL . 3.9 mm? -52.92 -63.92 0.99 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.593 HD13 ' HA ' ' A' ' 146' ' ' THR . 6.5 mp -77.19 6.45 6.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -139.16 84.17 0.23 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.522 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -118.34 152.67 35.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.81 0.338 . . . . 0.0 110.929 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 17.7 mtm180 -117.14 -31.15 5.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt 38.53 54.44 1.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 4.4 m -56.78 -64.26 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 144.26 70.56 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.526 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -0.42 6.85 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 89.3 p -48.21 140.05 7.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.8 m -165.91 160.99 17.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.837 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.505 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.4 m -155.51 -178.96 7.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.883 0.373 . . . . 0.0 110.833 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -48.27 171.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.21 177.25 0.16 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.47 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.3 p -138.54 -176.79 4.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.908 0.385 . . . . 0.0 110.856 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -130.8 179.53 5.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.43 110.46 0.61 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -135.28 117.97 16.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.782 0.325 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.0 m -138.84 175.88 9.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.6 p -39.89 109.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.12 -47.39 10.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.073 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -39.91 -36.28 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.065 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -65.83 -53.43 40.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.84 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.9 mt -42.32 -61.14 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.538 HD21 ' HB2' ' A' ' 65' ' ' ALA . 8.0 mp -40.55 -53.22 2.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.1 mtp85 -45.13 -47.41 12.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -68.34 -55.52 11.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.07 127.0 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.444 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.65 119.37 37.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.829 0.347 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.423 ' HB2' ' HG3' ' A' ' 62' ' ' LYS . . . -145.07 122.61 11.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.2 t -152.42 170.6 19.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.9 t -80.0 133.04 36.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.826 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.5 m -119.44 176.62 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.12 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.613 ' C ' HD13 ' A' ' 24' ' ' LEU . 3.3 tm? -106.96 116.75 32.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.952 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -85.1 121.38 27.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.448 HD21 ' HB2' ' A' ' 130' ' ' ALA . 13.0 mt -93.9 -70.09 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.4 t -169.38 172.85 6.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.3 p -135.81 122.72 21.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.3 t -104.82 149.42 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -73.59 118.99 17.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.687 HG21 ' HB1' ' A' ' 39' ' ' ALA . 52.2 p -113.63 40.84 2.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -42.66 -48.1 5.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.0 t -101.15 -22.95 14.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.691 HD12 ' HA ' ' A' ' 39' ' ' ALA . 0.4 OUTLIER -70.58 137.26 49.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 75.5 p -153.35 153.0 31.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.176 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.99 -142.72 29.98 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -25.13 28.73 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.71 2.274 . . . . 0.0 112.335 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.68 ' HB3' HD13 ' A' ' 34' ' ' LEU . 33.6 mt-30 -58.75 -50.57 73.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.691 ' HA ' HD12 ' A' ' 34' ' ' LEU . . . -50.82 -57.64 7.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.8 t -53.96 -39.61 41.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.624 ' HB2' ' HG3' ' A' ' 95' ' ' PRO . . . -68.93 -31.61 70.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.074 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.4 ttt85 -70.92 -58.8 3.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.645 ' HB2' ' SG ' ' A' ' 126' ' ' CYS . . . -42.32 -42.6 3.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.403 ' OG ' HD11 ' A' ' 128' ' ' LEU . 73.1 m -72.38 -54.64 8.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.7 m -43.92 -33.69 1.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 48' ' ' LEU . . . -82.81 -63.05 1.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.128 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -38.17 -26.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.104 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 46' ' ' ALA . 3.8 mt -99.22 -41.47 7.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 38.3 t -68.0 -53.55 25.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -67.14 148.21 52.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.533 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 6.2 m -145.95 156.62 51.3 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.648 0.737 . . . . 0.0 110.85 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.9 Cg_endo -69.75 176.02 34.21 Favored 'Cis proline' 0 C--N 1.341 0.139 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.315 -0.021 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.446 ' HD2' ' CH2' ' A' ' 100' ' ' TRP . 7.0 mtm105 -69.6 140.5 89.64 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.622 0.725 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 152.45 69.36 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.67 2.246 . . . . 0.0 112.34 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 47.9 m -87.78 110.03 31.65 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.589 0.709 . . . . 0.0 111.139 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 170.75 15.87 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.68 2.253 . . . . 0.0 112.381 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.0 144.36 22.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.538 HG12 HD12 ' A' ' 132' ' ' LEU . 6.6 m -82.66 133.81 28.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.7 m -144.42 165.82 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -79.85 153.5 29.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.824 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -144.99 133.65 22.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.423 ' HG3' ' HB2' ' A' ' 20' ' ' ALA . 16.4 ttpp -138.1 156.82 47.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.1 t -134.82 122.49 38.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.3 t -143.44 177.94 8.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.538 ' HB2' HD21 ' A' ' 15' ' ' LEU . . . -70.38 -27.64 64.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -72.01 -16.89 62.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 133.0 -134.48 7.56 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.5 mm -119.92 149.18 22.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.929 0.395 . . . . 0.0 111.104 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.2 m -138.66 116.39 11.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.174 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 18.9 mt -111.52 139.44 46.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 59.3 m -125.13 140.66 52.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.544 ' OD1' ' CZ ' ' A' ' 78' ' ' PHE . 7.6 m-20 -121.99 135.32 54.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -105.61 -45.29 4.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -65.89 -23.12 66.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 56.25 47.43 19.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt -89.2 -56.53 3.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -94.31 -45.89 7.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.544 ' CZ ' ' OD1' ' A' ' 72' ' ' ASP . 47.6 p90 -151.26 173.45 14.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -107.04 -74.05 0.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -135.97 141.56 44.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -155.41 119.94 4.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -115.07 127.65 55.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -118.75 143.21 33.13 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.677 0.751 . . . . 0.0 110.947 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -169.75 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.321 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.602 HG23 ' CD1' ' A' ' 149' ' ' LEU . 10.9 p -97.01 -17.73 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.158 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -77.19 -30.89 54.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.826 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.4 t -63.17 -47.06 84.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.0 mt -72.38 116.53 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.132 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.418 ' O ' HD11 ' A' ' 150' ' ' LEU . 17.3 p -111.17 -45.75 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -127.99 136.92 51.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.499 ' O ' ' CG2' ' A' ' 146' ' ' THR . 11.8 t -156.56 114.2 3.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.908 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.0 t -162.23 147.02 12.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.826 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.599 ' N ' HG11 ' A' ' 142' ' ' VAL . 2.6 p -44.04 169.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.133 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -63.53 133.46 95.52 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.651 0.738 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.624 ' HG3' ' HB2' ' A' ' 41' ' ' ALA . 53.7 Cg_endo -69.78 -23.47 30.67 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.729 2.286 . . . . 0.0 112.342 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -83.52 -14.71 51.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 57.54 30.12 18.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -73.77 159.54 32.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.82 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.9 mmt85 -113.2 148.49 35.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.446 ' CH2' ' HD2' ' A' ' 53' ' ' ARG . 57.8 t-105 -109.35 119.19 38.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 59.5 m -78.71 91.69 4.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -47.0 160.08 0.35 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.633 0.73 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 0.33 5.83 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.666 2.244 . . . . 0.0 112.358 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -93.8 -33.41 13.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 121.13 42.49 0.47 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.44 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.7 t -149.87 155.18 39.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.342 . . . . 0.0 111.172 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 25.3 p -94.41 156.24 16.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.0 p -153.24 150.83 29.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.44 ' HB3' ' CD ' ' A' ' 131' ' ' GLU . 33.4 tttt -73.01 134.89 44.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 25.4 mt -94.73 137.86 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.506 ' HB3' HG22 ' A' ' 93' ' ' THR . 11.8 p90 -151.71 151.22 31.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -162.76 172.38 38.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.466 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -134.2 157.65 45.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.893 0.377 . . . . 0.0 110.841 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 1.9 t -111.76 114.66 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.157 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -124.19 160.63 27.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -81.29 140.48 34.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.442 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 49.0 tttt -56.97 139.19 78.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.592 0.711 . . . . 0.0 110.896 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.442 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 53.6 Cg_endo -69.84 -8.16 22.9 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 2.27 . . . . 0.0 112.317 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -119.66 -35.23 0.93 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.518 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.2 m -119.15 98.13 50.69 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.659 0.742 . . . . 0.0 110.853 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.415 ' HD2' ' CZ3' ' A' ' 122' ' ' TRP . 53.9 Cg_endo -69.76 -8.49 23.74 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.671 2.247 . . . . 0.0 112.391 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.586 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 29.0 p90 -98.34 16.35 21.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.586 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 43.1 mt-10 -145.7 133.05 20.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -105.13 143.17 33.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 2.4 t -133.53 131.86 57.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.645 ' SG ' ' HB2' ' A' ' 43' ' ' ALA . 15.7 p -102.17 147.56 26.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -122.23 110.93 16.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.794 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.549 ' O ' ' CD1' ' A' ' 129' ' ' PHE . 6.6 tp -75.47 150.89 38.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 128' ' ' LEU . 28.2 m-85 -152.36 171.5 17.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.448 ' HB2' HD21 ' A' ' 26' ' ' LEU . . . -139.58 165.96 25.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.058 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.44 ' CD ' ' HB3' ' A' ' 109' ' ' LYS . 98.2 mt-10 -75.63 110.14 9.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.538 HD12 HG12 ' A' ' 58' ' ' VAL . 9.6 tt -80.57 -45.1 17.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.515 ' OD1' HD23 ' A' ' 132' ' ' LEU . 80.1 m-20 -122.21 146.59 47.21 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.599 0.714 . . . . 0.0 110.891 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -42.87 3.04 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -45.95 -48.89 16.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -111.0 86.47 6.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.599 0.714 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 161.57 45.43 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.676 2.25 . . . . 0.0 112.354 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.777 ' HA ' HD12 ' A' ' 141' ' ' ILE . . . -56.08 -48.46 76.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.083 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -51.13 -42.08 47.82 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.521 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.27 -21.54 66.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.752 0.311 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.777 HD12 ' HA ' ' A' ' 138' ' ' ALA . 34.1 mt -83.46 -73.28 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.599 HG11 ' N ' ' A' ' 93' ' ' THR . 3.4 m -40.66 -46.74 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.094 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 4.9 m -51.11 -63.83 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' PHE . . . . . 0.405 ' C ' ' CD1' ' A' ' 144' ' ' PHE . 6.1 t80 -53.68 -40.78 66.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 32.3 mt -54.52 -72.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.593 ' CB ' HD23 ' A' ' 150' ' ' LEU . 6.4 p -54.76 -36.59 65.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.403 ' NZ ' ' HB3' ' A' ' 147' ' ' LYS . 0.8 OUTLIER -45.43 -60.96 1.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.804 HG13 ' CD2' ' A' ' 149' ' ' LEU . 5.0 p -81.58 -37.46 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.136 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.804 ' CD2' HG13 ' A' ' 148' ' ' VAL . 1.0 OUTLIER -70.22 -71.07 0.26 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.593 HD23 ' CB ' ' A' ' 146' ' ' THR . 2.3 mm? -63.26 -13.88 43.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 153' ' ' ARG . . . -95.37 -66.39 0.98 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.454 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 151' ' ' GLY . 9.4 pt20 34.15 34.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.829 0.347 . . . . 0.0 110.91 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 151' ' ' GLY . 29.7 mmt180 -67.07 122.53 17.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp 49.06 43.17 22.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 40.8 p -62.79 137.12 58.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -143.47 151.24 23.12 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 155.43 65.79 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.638 2.226 . . . . 0.0 112.367 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 35.7 m -153.89 161.17 42.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 30.4 t -159.01 132.72 7.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.0 p -91.71 108.05 19.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.887 0.375 . . . . 0.0 110.855 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.8 m -84.77 98.65 10.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.846 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.42 87.3 1.44 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.49 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.9 t -137.69 144.1 41.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.877 0.37 . . . . 0.0 110.854 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.3 p -98.89 130.31 45.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.69 78.24 0.26 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.8 mmt -85.59 133.42 34.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.791 0.329 . . . . 0.0 110.856 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.5 p -151.37 118.15 5.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 75.4 p -133.03 108.92 9.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -80.56 -53.57 6.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.704 ' HB2' HH21 ' A' ' 153' ' ' ARG . . . -40.32 -25.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.065 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' ALA . 29.8 m-20 -94.46 -43.45 8.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 mt -52.2 -45.39 65.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.21 -50.14 74.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.3 mtp180 -46.89 -23.35 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -90.04 -56.03 3.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.26 155.16 1.81 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.529 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.95 123.55 40.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 111.078 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.58 ' HB2' ' HD2' ' A' ' 62' ' ' LYS . . . -146.95 121.08 9.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.058 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.0 t -160.83 171.71 18.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.5 m -86.28 136.26 33.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.1 m -125.14 169.08 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.161 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.606 ' C ' HD13 ' A' ' 24' ' ' LEU . 3.3 tm? -105.23 111.6 24.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -76.73 129.43 36.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.8 mt -98.6 -65.86 0.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.0 t -174.33 -179.88 1.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.1 p -138.12 115.57 11.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.554 HG21 ' HA ' ' A' ' 43' ' ' ALA . 85.4 t -106.82 105.58 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -46.28 128.34 9.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.729 HG21 ' HB1' ' A' ' 39' ' ' ALA . 46.8 p -117.16 37.28 3.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.169 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 31' ' ' THR . 6.5 pt-20 -35.09 -43.85 0.22 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.2 t -94.56 -42.52 8.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -68.45 158.33 33.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.409 ' N ' ' HB2' ' A' ' 39' ' ' ALA . 6.7 t -174.5 162.71 3.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.7 -155.54 37.39 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.533 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -11.19 30.32 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -84.07 -46.02 12.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.729 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -49.19 -34.33 14.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.9 t -66.99 -40.48 85.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.454 ' HB1' HE22 ' A' ' 96' ' ' GLN . . . -64.12 -48.41 76.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -44.32 -58.03 3.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.554 ' HA ' HG21 ' A' ' 29' ' ' VAL . . . -49.63 -40.96 41.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.0 m -64.6 -46.41 82.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 m -63.01 -42.11 99.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.02 -31.96 61.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.8 -32.37 72.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.3 mt -92.36 -40.51 10.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.0 t -67.22 -53.17 32.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 43.2 t -52.38 140.82 21.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.546 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 10.7 m -147.71 153.52 43.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.613 0.721 . . . . 0.0 110.897 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 51' ' ' SER . 54.2 Cg_endo -69.77 138.33 48.54 Favored 'Cis proline' 0 C--O 1.231 0.167 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.351 -0.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 52' ' ' PRO . 12.1 ptt85 -33.82 141.25 0.23 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.651 0.739 . . . . 0.0 110.876 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 167.98 22.87 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.72 2.28 . . . . 0.0 112.315 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 84.7 m -107.0 109.76 63.25 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.588 0.708 . . . . 0.0 111.139 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.482 ' HB2' HD11 ' A' ' 24' ' ' LEU . 53.1 Cg_endo -69.84 174.94 8.83 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.679 2.252 . . . . 0.0 112.294 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.26 145.26 20.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.095 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.412 HG12 HD12 ' A' ' 132' ' ' LEU . 24.8 m -80.63 136.7 22.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.152 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.5 m -144.58 178.94 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -101.16 142.19 32.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -119.1 147.19 44.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.58 ' HD2' ' HB2' ' A' ' 20' ' ' ALA . 20.0 tptt -147.39 135.8 21.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.6 t -121.03 106.6 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.9 t -134.51 -179.94 5.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.49 -23.37 62.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -74.78 -12.97 60.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.11 -115.7 2.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.518 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 68.3 mt -143.55 133.35 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.902 0.382 . . . . 0.0 111.123 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.7 m -118.82 121.77 40.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.7 mt -116.2 143.36 45.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 37.4 m -140.5 144.85 36.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.084 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -130.17 143.23 50.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -83.9 -57.78 3.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.49 ' NE2' ' H ' ' A' ' 74' ' ' GLN . 3.9 mp0 -68.95 -14.11 62.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 74' ' ' GLN . 26.0 ptt180 34.77 39.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.3 mttm -57.77 -37.81 74.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.8 mt -113.69 -48.39 2.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -144.2 126.75 15.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.58 ' CD2' ' HB2' ' A' ' 80' ' ' ARG . 57.8 t80 -74.93 -73.05 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.58 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 12.0 ttm-85 -121.39 146.53 46.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -164.9 122.46 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -127.44 135.14 50.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -115.33 148.86 41.73 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.65 0.738 . . . . 0.0 110.944 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 170.66 16.06 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.329 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.65 HG23 HD13 ' A' ' 149' ' ' LEU . 11.0 p -77.14 -23.5 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -74.78 -50.25 17.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.0 p -39.43 -58.51 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 35.4 mt -57.7 108.37 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.182 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.9 p -102.9 -40.12 6.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.174 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -135.17 149.95 50.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.488 ' O ' ' CG2' ' A' ' 146' ' ' THR . 15.9 t -165.06 123.23 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.835 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.1 t -174.17 147.29 1.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.736 HG23 HG21 ' A' ' 142' ' ' VAL . 6.9 p -41.31 156.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -58.64 138.98 86.1 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.568 0.699 . . . . 0.0 110.844 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.447 ' CG ' ' HB2' ' A' ' 41' ' ' ALA . 53.8 Cg_endo -69.74 -51.26 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.717 2.278 . . . . 0.0 112.347 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.454 HE22 ' HB1' ' A' ' 41' ' ' ALA . 1.1 mp0 -58.28 -26.45 63.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.4 t70 65.2 32.61 9.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -73.63 165.14 25.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -110.17 163.87 13.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 61.7 t-105 -126.65 105.4 8.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.9 m -72.01 96.99 1.8 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.176 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -51.4 156.41 2.09 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.643 0.735 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -0.63 7.17 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.67 2.247 . . . . 0.0 112.366 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -96.95 -23.01 16.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 111.38 61.87 0.48 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.528 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.1 t -168.72 149.28 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.903 0.382 . . . . 0.0 111.099 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 42.4 p -92.42 146.05 23.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.1 p -141.64 146.91 36.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.425 ' HD3' ' N ' ' A' ' 110' ' ' ILE . 1.0 OUTLIER -69.54 143.0 53.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.425 ' N ' ' HD3' ' A' ' 109' ' ' LYS . 87.5 mt -99.95 140.47 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.151 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.523 ' CG ' ' HB1' ' A' ' 138' ' ' ALA . 10.7 p90 -162.9 155.75 19.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -172.79 -171.34 37.47 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.412 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 4.1 p90 -142.99 164.86 28.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.897 0.38 . . . . 0.0 110.875 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 10.9 t -106.72 111.38 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.17 163.42 19.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -85.26 154.82 21.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -62.37 154.36 72.14 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.543 0.687 . . . . 0.0 110.931 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -51.13 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -90.03 -14.51 59.07 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.9 m -120.74 88.21 43.44 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.638 0.732 . . . . 0.0 110.872 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -3.77 12.7 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.677 2.251 . . . . 0.0 112.322 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 13.8 p90 -105.26 -0.01 26.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -111.52 168.62 9.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -128.15 141.94 51.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.9 p -152.1 107.04 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.167 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 12.1 t -81.27 145.33 30.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 -115.6 124.56 51.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.9 tp -89.21 149.99 22.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 111' ' ' PHE . 33.3 m-85 -146.21 169.85 17.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.541 ' HB3' HD12 ' A' ' 24' ' ' LEU . . . -136.73 160.94 37.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.1 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -66.82 130.66 43.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.423 HD23 ' C ' ' A' ' 132' ' ' LEU . 7.7 tt -109.81 -51.04 2.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.439 ' CG ' ' HD2' ' A' ' 134' ' ' PRO . 1.8 t70 -112.28 141.27 24.76 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.605 0.717 . . . . 0.0 110.852 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 133' ' ' ASP . 54.0 Cg_endo -69.82 -25.37 28.39 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.671 2.247 . . . . 0.0 112.343 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.78 -43.88 91.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.422 ' HA ' ' HD2' ' A' ' 137' ' ' PRO . 15.6 mm100 -111.14 94.35 20.94 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.583 ' HG2' ' HB2' ' A' ' 140' ' ' ALA . 54.0 Cg_endo -69.79 141.04 44.05 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.68 2.253 . . . . 0.0 112.354 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.523 ' HB1' ' CG ' ' A' ' 111' ' ' PHE . . . -38.43 -48.47 1.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -57.54 -38.88 89.58 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.583 ' HB2' ' HG2' ' A' ' 137' ' ' PRO . . . -62.27 -16.65 55.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.692 0.282 . . . . 0.0 111.067 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' ' 138' ' ' ALA . 57.7 mt -87.7 -73.75 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.811 ' HA ' HD12 ' A' ' 145' ' ' ILE . 3.2 m -41.88 -38.16 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 86.9 m -56.31 -69.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -39.28 -38.32 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.811 HD12 ' HA ' ' A' ' 142' ' ' VAL . 37.3 mt -64.36 -67.2 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 91' ' ' SER . 58.2 p -53.19 -22.94 7.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -75.31 -41.72 56.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.448 ' O ' ' C ' ' A' ' 149' ' ' LEU . 79.7 t -96.7 -70.96 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.08 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.65 HD13 HG23 ' A' ' 85' ' ' VAL . 4.0 mm? -34.29 -70.65 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 30.6 mt -68.17 -32.5 72.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -84.11 78.17 2.04 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.436 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -98.54 74.49 2.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . 0.704 HH21 ' HB2' ' A' ' 12' ' ' ALA . 4.6 ppt_? -69.57 -22.19 63.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 47.7 tttt -85.03 96.36 9.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 78.7 p -91.38 155.86 18.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.812 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 122.96 -167.52 15.21 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.71 103.72 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 3.5 m -39.13 -57.78 1.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 83.0 p -110.93 159.06 18.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.856 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.474 -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -104.9 163.23 12.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 110.874 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 t -76.06 122.59 24.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.87 166.44 31.37 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.525 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.6 t -112.32 -52.97 2.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.844 0.354 . . . . 0.0 110.838 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t 50.58 41.62 25.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.26 -137.39 0.72 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.493 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.3 mtt -76.12 119.3 19.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.781 0.324 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.5 m -134.05 170.45 15.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.2 m -121.06 121.02 37.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.118 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 12' ' ' ALA . . . -90.19 -39.69 12.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 11' ' ' ALA . . . -35.17 -61.45 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.092 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -55.08 -53.86 50.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 14' ' ' LEU . 7.8 mt -50.6 -64.46 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.9 mt -52.21 -40.19 61.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.981 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -42.4 -42.95 3.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -58.04 -55.6 32.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.61 107.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.453 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.39 122.61 41.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.842 0.353 . . . . 0.0 111.104 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.621 ' HB2' ' HG3' ' A' ' 62' ' ' LYS . . . -146.47 128.33 15.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.3 m -157.53 171.48 20.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.0 m -80.4 131.44 35.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.1 m -115.9 173.74 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.691 HD11 ' CB ' ' A' ' 56' ' ' PRO . 2.5 tm? -108.98 112.97 25.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.403 ' N ' HD13 ' A' ' 24' ' ' LEU . 50.8 t80 -85.22 100.35 11.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.723 HD12 ' HG ' ' A' ' 128' ' ' LEU . 41.1 mt -66.56 -67.07 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.6 t -173.01 165.59 5.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.7 p -126.5 126.26 43.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.6 t -111.34 142.83 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -73.27 115.97 13.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.686 HG21 ' HB1' ' A' ' 39' ' ' ALA . 71.4 p -112.47 38.78 2.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.186 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -39.4 -49.29 2.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.4 t -92.73 -37.29 12.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.873 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -66.94 135.19 53.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.5 p -146.02 173.87 11.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.45 -153.34 43.45 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -5.33 15.99 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.345 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -80.82 -40.21 25.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.686 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -59.49 -51.78 68.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.0 t -53.2 -44.16 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.404 ' HB2' ' HG3' ' A' ' 95' ' ' PRO . . . -58.14 -47.18 84.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.143 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.1 ttt85 -48.04 -56.27 8.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.478 ' HB2' ' SG ' ' A' ' 126' ' ' CYS . . . -45.28 -45.5 12.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.4 m -70.53 -63.35 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.7 m -40.96 -41.97 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.42 -39.74 62.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.063 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.89 -29.25 59.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.7 mt -99.08 -40.23 8.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.9 m -64.24 -51.62 62.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -73.88 153.61 39.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.51 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 1.5 m -151.47 160.79 31.25 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.636 0.731 . . . . 0.0 110.893 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.2 Cg_endo -69.81 177.55 28.61 Favored 'Cis proline' 0 C--O 1.231 0.156 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.32 0.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.529 ' HD2' ' CH2' ' A' ' 100' ' ' TRP . 17.5 mtm180 -62.0 143.02 95.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.582 0.706 . . . . 0.0 110.845 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 162.23 42.91 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.651 2.234 . . . . 0.0 112.381 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 94.1 m -100.66 99.17 9.46 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.586 0.708 . . . . 0.0 111.164 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.691 ' CB ' HD11 ' A' ' 24' ' ' LEU . 54.1 Cg_endo -69.73 152.57 69.5 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.736 2.29 . . . . 0.0 112.324 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -131.06 157.59 42.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.3 t -91.85 126.82 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.153 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.728 HG12 ' OD1' ' A' ' 72' ' ' ASP . 34.0 m -139.6 152.64 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -69.07 156.63 38.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -145.8 132.95 20.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.621 ' HG3' ' HB2' ' A' ' 20' ' ' ALA . 34.2 tttp -140.9 145.26 35.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.49 HG11 ' CD2' ' A' ' 144' ' ' PHE . 77.2 t -121.71 111.71 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.1 t -141.57 174.44 10.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -57.21 -59.41 5.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.075 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -39.93 -25.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . 137.0 -135.45 7.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.466 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.424 HD12 ' CD1' ' A' ' 88' ' ' ILE . 86.9 mt -123.43 131.08 73.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.905 0.383 . . . . 0.0 111.128 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.0 m -116.91 140.56 49.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.9 mt -133.79 136.99 44.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 93.5 m -127.42 147.9 50.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.728 ' OD1' HG12 ' A' ' 59' ' ' VAL . 9.4 t70 -131.56 144.63 51.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -105.98 -43.62 4.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 20.6 mp0 -69.44 -12.08 61.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 43.64 40.99 3.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.1 mttp -65.95 -45.93 80.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.6 mt -119.53 -45.44 2.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -143.89 168.82 19.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -107.33 -60.37 1.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.837 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -145.08 142.35 29.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -159.52 122.69 3.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -122.75 119.31 30.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.826 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -92.77 149.24 37.53 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.672 0.749 . . . . 0.0 110.917 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 85' ' ' VAL . 53.2 Cg_endo -69.76 131.28 20.9 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.263 . . . . 0.0 112.328 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.632 HG23 HD13 ' A' ' 149' ' ' LEU . 14.5 p -35.95 -35.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 87' ' ' SER . 2.8 m120 -64.83 -52.69 55.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 86' ' ' ASN . 14.5 t -34.94 -58.77 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.424 ' CD1' HD12 ' A' ' 68' ' ' ILE . 19.3 mt -57.04 118.16 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 43.1 p -119.04 -47.74 2.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.095 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -122.96 122.69 39.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.6 t -146.19 112.02 5.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.821 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.8 t -164.76 149.09 9.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.976 HG23 HG21 ' A' ' 142' ' ' VAL . 16.8 p -44.17 145.84 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.153 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.435 ' CG ' ' HD2' ' A' ' 95' ' ' PRO . 2.1 t70 -47.36 140.8 7.05 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.587 0.708 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.435 ' HD2' ' CG ' ' A' ' 94' ' ' ASP . 54.2 Cg_endo -69.76 -31.4 20.62 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.722 2.281 . . . . 0.0 112.336 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -75.07 -9.88 58.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 44.16 37.4 1.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -84.46 159.55 20.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -103.97 154.42 19.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.533 ' CD1' HD21 ' A' ' 26' ' ' LEU . 68.7 t-105 -118.45 109.79 16.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.5 m -62.66 105.09 0.6 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.08 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -61.74 161.5 20.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.63 0.728 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 2.95 3.07 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.69 2.26 . . . . 0.0 112.362 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -99.6 -39.49 8.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 142.65 -23.52 2.33 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.3 t -90.19 157.33 17.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.372 . . . . 0.0 111.132 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 68.4 p -98.86 155.81 17.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.158 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.3 p -134.54 163.78 28.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -84.17 127.05 33.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 89.6 mt -81.25 131.65 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.473 ' CD1' ' HB1' ' A' ' 138' ' ' ALA . 7.2 p90 -153.5 161.61 42.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 177.04 164.42 30.77 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.438 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -122.34 169.8 10.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.865 0.364 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 18.4 t -114.03 115.85 50.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.95 140.06 52.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.065 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -66.45 151.91 46.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.474 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 14.7 ttmm -69.76 139.58 88.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 0.0 110.92 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 54.0 Cg_endo -69.74 3.23 2.88 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.717 2.278 . . . . 0.0 112.353 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -126.2 -29.22 0.95 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.503 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.6 m -125.3 97.14 37.83 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.692 0.758 . . . . 0.0 110.85 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.429 ' HG2' ' CE3' ' A' ' 122' ' ' TRP . 54.2 Cg_endo -69.79 -13.51 34.69 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.429 ' CE3' ' HG2' ' A' ' 121' ' ' PRO . 15.2 p90 -92.61 7.02 45.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -125.61 177.39 6.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -146.16 135.05 22.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 71.4 t -127.06 118.31 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.478 ' SG ' ' HB2' ' A' ' 43' ' ' ALA . 15.2 p -87.15 148.34 25.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -122.01 118.56 29.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.723 ' HG ' HD12 ' A' ' 26' ' ' LEU . 8.8 tp -84.29 140.26 31.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -146.34 174.03 11.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -156.41 130.91 8.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.48 ' HB3' ' N ' ' A' ' 138' ' ' ALA . 3.6 pt-20 -46.57 103.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.407 HD23 ' C ' ' A' ' 132' ' ' LEU . 10.4 tt -73.47 -51.97 15.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -88.23 138.27 30.65 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.596 0.712 . . . . 0.0 110.875 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -43.18 2.79 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.673 2.249 . . . . 0.0 112.332 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -44.99 -46.74 11.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.423 ' HA ' ' HD2' ' A' ' 137' ' ' PRO . 12.6 mm100 -114.9 108.26 48.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.605 0.717 . . . . 0.0 110.902 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 136' ' ' GLN . 54.1 Cg_endo -69.74 170.78 15.75 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.698 2.265 . . . . 0.0 112.36 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.651 ' HA ' HD12 ' A' ' 141' ' ' ILE . . . -66.69 -43.63 83.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -54.21 -52.6 42.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.501 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -47.89 -30.64 4.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.771 0.319 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.651 HD12 ' HA ' ' A' ' 138' ' ' ALA . 26.3 mt -75.17 -72.51 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.976 HG21 HG23 ' A' ' 93' ' ' THR . 3.8 m -40.3 -41.99 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 88.5 m -58.88 -56.34 23.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' PHE . . . . . 0.49 ' CD2' HG11 ' A' ' 63' ' ' VAL . 64.1 t80 -58.45 -33.4 69.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.65 HD12 ' HA ' ' A' ' 142' ' ' VAL . 90.1 mt -57.33 -73.17 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.611 ' CB ' HD13 ' A' ' 150' ' ' LEU . 22.0 p -53.19 -37.88 62.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.176 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -44.78 -61.14 1.7 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.707 HG13 ' CD2' ' A' ' 149' ' ' LEU . 7.1 p -81.1 -40.42 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.707 ' CD2' HG13 ' A' ' 148' ' ' VAL . 2.2 mm? -65.17 -70.99 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.611 HD13 ' CB ' ' A' ' 146' ' ' THR . 8.1 mp -63.71 -52.62 59.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.74 107.67 3.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . 0.447 ' O ' ' C ' ' A' ' 153' ' ' ARG . 41.9 mt-30 -153.16 123.56 7.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.342 . . . . 0.0 110.916 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 152' ' ' GLN . 0.2 OUTLIER -34.81 142.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -93.74 158.5 15.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 4.5 t -67.24 157.49 33.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -67.01 157.94 50.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 96.13 0.58 Allowed 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.717 2.278 . . . . 0.0 112.361 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.5 m 53.06 51.3 16.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.815 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 72.0 m -99.05 -45.01 6.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.3 m -137.53 172.85 12.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.854 0.359 . . . . 0.0 110.896 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m -127.16 154.64 44.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.93 -126.96 0.14 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.502 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 m -136.64 173.36 11.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.887 0.375 . . . . 0.0 110.838 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.4 p -116.94 173.37 6.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.37 154.58 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.459 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.6 mmt -109.9 42.33 1.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.778 0.323 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 t -94.75 139.32 31.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.45 112.79 2.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.125 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -48.83 -23.44 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.152 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -42.85 -68.22 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.073 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.87 -42.58 76.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 15' ' ' LEU . 6.9 mp -52.61 -67.87 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.859 HD21 HG22 ' A' ' 148' ' ' VAL . 0.5 OUTLIER -35.76 -50.29 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.64 -48.68 49.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.474 ' HG2' ' N ' ' A' ' 18' ' ' GLY . 2.0 pt20 -72.68 -37.2 67.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.474 ' N ' ' HG2' ' A' ' 17' ' ' GLN . . . 62.91 149.5 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.506 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.6 123.03 42.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.874 0.369 . . . . 0.0 111.098 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -147.52 119.34 8.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.6 m -155.82 170.82 21.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -79.8 155.9 27.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.473 HG13 ' HB2' ' A' ' 61' ' ' PHE . 20.6 m -140.79 175.73 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.136 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.554 ' C ' HD13 ' A' ' 24' ' ' LEU . 2.9 tm? -108.63 110.49 21.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.436 ' HE2' HD13 ' A' ' 77' ' ' LEU . 44.1 t80 -81.55 104.64 12.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.739 HD12 ' HG ' ' A' ' 128' ' ' LEU . 74.0 mt -75.05 -65.84 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.924 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.4 t -174.87 160.04 2.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.7 p -119.85 116.0 24.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 52.3 t -103.84 142.18 18.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.15 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -72.16 117.96 14.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.667 HG21 ' HB1' ' A' ' 39' ' ' ALA . 65.9 p -114.24 37.11 3.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.168 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -38.11 -48.66 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 t -93.47 -34.1 13.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.849 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -71.85 139.85 49.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.959 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.2 t -154.01 165.66 35.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.67 -151.95 46.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.466 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -21.25 33.77 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 0.0 112.323 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -66.08 -46.45 77.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.667 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -53.32 -41.91 66.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.042 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.5 t -62.06 -48.67 87.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.18 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.44 -46.64 73.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.096 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.5 ttt85 -55.59 -64.1 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.23 -38.06 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.7 m -71.01 -42.34 69.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.3 t -64.95 -40.51 95.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.825 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.4 -33.98 75.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.079 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.14 -43.78 94.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.3 mt -76.32 -38.55 55.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.4 t -64.59 -50.29 67.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 36.9 t -44.01 138.64 2.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.504 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 27.8 m -149.59 127.92 5.92 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.693 0.759 . . . . 0.0 110.823 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.9 Cg_endo -69.68 140.39 60.03 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.342 -0.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.1 ptp85 -41.27 147.18 0.47 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.58 0.705 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 148.42 64.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.656 2.237 . . . . 0.0 112.332 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.6 m -90.8 114.25 60.73 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.624 0.726 . . . . 0.0 111.13 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.548 ' CB ' HD11 ' A' ' 24' ' ' LEU . 53.9 Cg_endo -69.76 174.93 8.79 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.725 2.283 . . . . 0.0 112.377 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.08 154.1 37.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.085 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.7 m -90.03 132.62 34.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.9 m -143.79 171.92 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -92.5 140.78 29.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.473 ' HB2' HG13 ' A' ' 23' ' ' VAL . 6.7 t80 -125.51 121.61 34.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -129.96 140.42 50.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 80.4 t -128.2 111.85 25.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.108 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.4 t -139.22 -175.55 4.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.27 -23.38 62.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.082 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -76.63 -11.25 59.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.4 ' HA2' HD11 ' A' ' 149' ' ' LEU . . . 116.35 -120.42 4.86 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.431 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.5 mt -134.24 132.24 55.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.899 0.38 . . . . 0.0 111.098 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.5 m -118.56 140.09 50.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 56.1 mt -130.63 141.9 50.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.3 m -143.52 121.44 12.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.447 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 15.6 t70 -105.61 122.33 45.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -101.17 20.75 15.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 75' ' ' ARG . 25.7 mm-40 -111.33 -7.73 14.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 74' ' ' GLN . 58.2 mtm180 37.25 44.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -93.85 -56.41 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.436 HD13 ' HE2' ' A' ' 25' ' ' TYR . 13.7 mt -106.68 -44.97 4.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.447 ' CZ ' ' HB2' ' A' ' 72' ' ' ASP . 2.5 p90 -142.38 174.53 10.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -108.43 -58.67 1.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.0 mtp85 -140.66 154.95 46.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -165.35 126.53 1.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -141.02 133.15 27.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.419 ' OH ' ' CE1' ' A' ' 127' ' ' HIS . 17.4 m-85 -111.99 143.73 29.31 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.737 0.78 . . . . 0.0 110.908 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 149.11 66.58 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.653 2.235 . . . . 0.0 112.36 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.658 HG23 HD13 ' A' ' 149' ' ' LEU . 14.4 p -54.92 -18.53 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 87' ' ' SER . 10.4 t30 -79.08 -60.18 2.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 86' ' ' ASN . 10.6 t -36.14 -49.79 0.68 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 13.0 mt -60.74 123.96 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 81.8 p -124.37 -44.34 2.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -126.98 151.52 48.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.426 ' O ' ' CG2' ' A' ' 146' ' ' THR . 16.4 t -169.74 119.2 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.4 t -168.82 152.1 5.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.76 HG23 HG21 ' A' ' 142' ' ' VAL . 15.6 p -52.32 149.34 5.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -52.74 142.54 32.79 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.569 0.7 . . . . 0.0 110.855 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.447 ' HG2' ' NE2' ' A' ' 96' ' ' GLN . 54.0 Cg_endo -69.78 -34.11 15.18 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.683 2.256 . . . . 0.0 112.344 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.447 ' NE2' ' HG2' ' A' ' 95' ' ' PRO . 28.3 mp0 -76.17 -16.39 59.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 43.14 46.38 5.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -81.88 175.09 10.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -110.86 145.38 38.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 41.1 t-105 -108.36 102.72 11.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.1 m -72.51 94.66 1.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.174 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -50.11 160.59 0.66 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.665 0.745 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -7.08 20.13 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.342 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -88.25 -39.16 14.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 127.73 41.42 0.29 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.0 t -143.21 148.4 36.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.937 0.398 . . . . 0.0 111.125 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.8 p -95.21 156.78 16.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 67.0 m -158.67 156.03 29.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 47.6 tttt -69.24 159.74 32.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 60.1 mt -119.65 139.66 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.431 ' HB3' ' HB1' ' A' ' 138' ' ' ALA . 5.8 p90 -160.95 171.63 18.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 172.16 162.14 23.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -118.5 167.38 11.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.89 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.7 t -117.43 114.63 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.05 148.41 44.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -79.41 153.73 29.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.946 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.471 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 10.3 ttmm -71.01 139.76 85.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.587 0.708 . . . . 0.0 110.886 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 53.8 Cg_endo -69.71 -9.88 27.21 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.724 2.283 . . . . 0.0 112.353 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -119.6 -15.91 5.23 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.461 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.406 ' HA ' ' HD2' ' A' ' 121' ' ' PRO . 73.2 m -134.08 96.23 16.16 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.643 0.735 . . . . 0.0 110.861 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 120' ' ' SER . 54.0 Cg_endo -69.76 -1.36 8.34 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.678 2.252 . . . . 0.0 112.351 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.581 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 36.2 p90 -112.44 -0.36 15.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.581 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 69.0 mt-10 -120.09 106.91 12.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -80.6 142.1 34.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 45.7 t -130.76 111.83 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.112 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 2.7 t -90.64 143.56 26.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.419 ' CE1' ' OH ' ' A' ' 83' ' ' TYR . 28.3 m-70 -117.54 124.62 49.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.739 ' HG ' HD12 ' A' ' 26' ' ' LEU . 13.5 tp -87.28 148.3 25.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.536 ' CD1' ' O ' ' A' ' 128' ' ' LEU . 42.1 m-85 -154.91 168.61 26.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.408 ' HB2' HD11 ' A' ' 26' ' ' LEU . . . -141.85 150.11 41.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.404 ' O ' ' CD ' ' A' ' 131' ' ' GLU . 2.7 pp20? -60.35 113.39 2.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.487 HD23 ' C ' ' A' ' 132' ' ' LEU . 9.5 tt -84.72 -47.18 10.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.496 ' HB2' ' CG ' ' A' ' 136' ' ' GLN . 4.2 m-20 -94.87 139.75 22.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.589 0.709 . . . . 0.0 110.869 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -50.8 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.719 2.279 . . . . 0.0 112.341 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -51.99 -36.61 50.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.847 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.496 ' CG ' ' HB2' ' A' ' 133' ' ' ASP . 5.9 pt20 -113.68 96.27 40.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.598 0.714 . . . . 0.0 110.946 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 162.33 42.45 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.677 2.252 . . . . 0.0 112.338 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.731 ' HA ' HD12 ' A' ' 141' ' ' ILE . . . -46.05 -49.14 16.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -49.79 -55.9 13.18 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.526 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -42.59 -25.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.752 0.311 . . . . 0.0 111.079 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.731 HD12 ' HA ' ' A' ' 138' ' ' ALA . 23.7 mt -81.12 -70.93 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.76 HG21 HG23 ' A' ' 93' ' ' THR . 14.3 m -45.61 -44.48 4.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.417 ' N ' HG23 ' A' ' 142' ' ' VAL . 43.4 m -50.81 -53.26 33.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -58.79 -43.21 90.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.729 HD12 ' HA ' ' A' ' 142' ' ' VAL . 80.7 mt -52.04 -73.66 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.541 ' HA ' HD13 ' A' ' 150' ' ' LEU . 44.3 p -48.83 -40.94 31.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.087 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -53.55 -41.05 66.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.859 HG22 HD21 ' A' ' 15' ' ' LEU . 94.8 t -94.44 -62.84 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.658 HD13 HG23 ' A' ' 85' ' ' VAL . 3.5 mm? -48.16 -69.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.541 HD13 ' HA ' ' A' ' 146' ' ' THR . 6.6 mp -66.63 -36.77 83.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -101.3 61.13 0.58 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.523 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -80.06 88.72 5.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 110.902 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -57.23 157.02 6.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -101.95 153.48 19.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 58.3 p -143.64 177.63 8.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -98.24 162.49 20.86 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.454 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 107.13 1.79 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.664 2.243 . . . . 0.0 112.363 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 23.8 t -124.43 107.34 11.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 97.1 p -149.67 153.48 37.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.9 m -73.68 -59.08 2.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.953 0.406 . . . . 0.0 110.885 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 t -70.91 97.5 1.43 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.54 83.29 0.33 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.2 p -147.5 126.98 13.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.928 0.394 . . . . 0.0 110.844 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.8 m -153.94 122.94 6.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.26 121.98 2.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.461 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.9 ptm -129.74 121.57 27.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.781 0.324 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.8 t -114.81 143.17 45.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.84 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 67.5 p -85.39 144.33 28.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -48.64 -54.08 16.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -40.4 -46.38 2.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -76.96 -51.01 11.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 17' ' ' GLN . 2.3 mt -42.64 -71.48 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.414 HD21 HG21 ' A' ' 148' ' ' VAL . 30.1 mt -43.04 -38.62 2.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.9 ttm-85 -67.96 -36.52 80.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 14' ' ' LEU . 6.9 tp-100 -65.27 -48.59 72.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.926 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.53 129.01 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.452 ' HB3' ' CD2' ' A' ' 144' ' ' PHE . . . -127.39 121.45 30.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.336 . . . . 0.0 111.125 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.17 124.3 15.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.9 p -150.19 -178.05 6.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 m -88.39 140.52 29.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.509 HG13 ' HB2' ' A' ' 61' ' ' PHE . 32.7 m -124.42 152.42 30.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.118 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.528 ' C ' HD13 ' A' ' 24' ' ' LEU . 3.4 tm? -98.62 108.39 21.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.457 ' HE2' HD21 ' A' ' 77' ' ' LEU . 39.7 t80 -77.76 125.31 29.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.726 HD12 ' HG ' ' A' ' 128' ' ' LEU . 32.9 mt -96.28 -67.01 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.6 t -169.87 -178.45 2.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.6 p -141.96 120.46 12.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.0 t -113.67 115.55 50.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -50.93 131.13 26.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.842 HG21 ' HB1' ' A' ' 39' ' ' ALA . 18.6 p -118.18 35.89 4.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.099 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 31' ' ' THR . 0.5 OUTLIER -33.79 -45.71 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 t -95.26 -35.2 11.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 31' ' ' THR . 1.7 mm? -72.62 151.68 42.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -170.48 156.23 5.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.78 -153.96 35.27 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.429 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 3.26 2.88 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.709 2.272 . . . . 0.0 112.321 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -96.99 -40.05 9.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.842 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -56.72 -42.14 78.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.088 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.5 t -59.72 -33.43 52.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 42' ' ' ARG . . . -67.64 -61.03 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 41' ' ' ALA . 37.5 ttt180 -35.94 -59.76 0.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.18 -60.2 1.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.4 m -54.43 -56.83 14.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.3 t -48.29 -34.14 9.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.19 -39.95 46.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.89 -31.1 66.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.4 mt -97.74 -38.64 9.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.2 t -64.28 -52.31 59.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -76.8 148.15 36.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.509 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 1.5 m -149.97 160.84 32.83 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.687 0.756 . . . . 0.0 110.849 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.9 Cg_endo -69.77 147.1 83.98 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.723 -1.782 . . . . 0.0 112.351 0.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.4 ptt-85 -39.58 144.59 0.48 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.607 0.718 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 162.59 41.46 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.754 2.303 . . . . 0.0 112.354 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.4 m -99.76 109.09 54.45 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.551 0.691 . . . . 0.0 111.142 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 173.1 11.45 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.723 2.282 . . . . 0.0 112.356 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.48 155.24 42.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.09 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.7 t -92.79 126.1 45.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.673 HG12 ' HB3' ' A' ' 72' ' ' ASP . 30.2 m -142.12 179.56 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -103.47 165.12 11.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.509 ' HB2' HG13 ' A' ' 23' ' ' VAL . 12.4 t80 -143.14 138.81 30.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -144.25 136.54 26.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.9 t -117.68 115.83 49.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.157 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.0 m -139.17 179.78 6.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.813 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.91 -19.5 62.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.11 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -79.42 -20.5 47.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 132.96 -154.3 21.09 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 41.4 mt -103.11 143.46 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.884 0.374 . . . . 0.0 111.156 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.436 HG23 ' HB2' ' A' ' 82' ' ' HIS . 7.0 m -133.29 134.5 43.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.148 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.7 mt -127.58 106.99 9.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 56.8 m -106.85 139.55 41.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.673 ' HB3' HG12 ' A' ' 59' ' ' VAL . 6.9 p-10 -131.42 143.67 50.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -111.42 19.55 18.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -97.39 -38.6 9.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.8 mtp180 56.14 30.79 17.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -100.67 -68.25 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.457 HD21 ' HE2' ' A' ' 25' ' ' TYR . 55.6 tp -75.51 -43.62 48.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.501 ' CE1' HG11 ' A' ' 59' ' ' VAL . 4.5 p90 -162.43 -179.45 6.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.416 ' CG ' ' N ' ' A' ' 80' ' ' ARG . 37.2 t80 -118.15 171.15 8.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.416 ' N ' ' CG ' ' A' ' 79' ' ' PHE . 19.6 ttt-85 -40.36 144.12 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 33.3 mtp180 -147.87 120.05 8.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.436 ' HB2' HG23 ' A' ' 69' ' ' THR . 4.8 t60 -112.64 142.42 45.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.507 ' CD1' ' N ' ' A' ' 83' ' ' TYR . 0.3 OUTLIER -128.85 145.48 56.59 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.644 0.735 . . . . 0.0 110.978 -179.856 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 170.33 16.79 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.731 2.287 . . . . 0.0 112.319 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.723 HG23 ' CD1' ' A' ' 149' ' ' LEU . 11.7 p -86.3 -12.78 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 39.6 m-20 -82.02 -18.47 43.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.7 t -84.2 -38.87 20.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 13.4 mt -75.26 116.95 18.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 32.9 p -121.63 -36.94 2.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -121.24 145.18 48.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.0 t -170.89 113.34 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.4 t -165.8 146.33 6.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.913 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.867 HG23 HG21 ' A' ' 142' ' ' VAL . 4.0 p -46.39 150.17 0.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -53.53 141.9 42.78 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.539 0.685 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.476 ' HG2' ' NE2' ' A' ' 96' ' ' GLN . 53.6 Cg_endo -69.74 -40.58 5.19 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.652 2.234 . . . . 0.0 112.38 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.476 ' NE2' ' HG2' ' A' ' 95' ' ' PRO . 28.6 mp0 -71.76 -18.23 62.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 49.7 45.88 24.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -83.92 160.18 21.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 -102.03 148.42 25.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.499 ' CD2' HD22 ' A' ' 26' ' ' LEU . 50.1 t-105 -111.05 116.58 31.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.5 m -78.32 98.39 5.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -64.33 160.68 48.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.627 0.727 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -8.46 23.66 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.696 2.264 . . . . 0.0 112.379 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -88.95 5.69 42.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 75.63 59.07 3.62 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.459 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.0 t -163.34 162.76 25.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 0.0 111.152 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 10.7 p -108.48 154.69 21.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 45.6 p -149.47 161.08 42.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -79.36 138.57 37.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 69.0 mt -94.72 139.61 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.435 ' HB3' ' HB1' ' A' ' 138' ' ' ALA . 5.5 p90 -158.84 173.15 16.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 170.48 170.58 34.94 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.417 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 2.5 p90 -128.44 159.26 35.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.6 t -106.62 116.79 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.182 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -129.82 146.41 51.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -66.89 149.21 50.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.477 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 28.9 ttmt -60.35 139.85 91.84 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.534 0.683 . . . . 0.0 110.901 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.477 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 53.3 Cg_endo -69.8 -8.79 24.5 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.705 2.27 . . . . 0.0 112.331 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -120.73 -3.66 10.99 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.463 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.3 m -158.24 105.0 1.7 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.64 0.733 . . . . 0.0 110.882 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -8.07 22.65 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.642 2.228 . . . . 0.0 112.364 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.535 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 8.4 p90 -97.18 3.83 51.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.535 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 18.4 mt-10 -121.73 127.32 50.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.46 138.37 39.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.2 p -152.21 112.9 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 41.8 t -85.85 156.69 20.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -118.25 120.61 38.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.726 ' HG ' HD12 ' A' ' 26' ' ' LEU . 10.5 tp -77.53 143.83 38.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.428 ' CD1' ' O ' ' A' ' 128' ' ' LEU . 24.2 m-85 -152.19 172.84 15.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.516 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -144.56 155.17 43.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.079 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.52 102.86 0.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.444 ' C ' ' CD1' ' A' ' 132' ' ' LEU . 0.2 OUTLIER -57.69 -59.45 5.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.96 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -100.33 150.36 36.86 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.612 0.72 . . . . 0.0 110.904 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -41.76 3.99 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.67 2.247 . . . . 0.0 112.31 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -53.87 -41.08 67.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -108.4 89.17 5.66 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.573 0.702 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 156.46 63.28 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.692 2.262 . . . . 0.0 112.343 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.781 ' HA ' HD12 ' A' ' 141' ' ' ILE . . . -49.01 -49.34 41.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.12 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -48.58 -48.76 28.29 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.459 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.04 -19.86 5.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.743 0.306 . . . . 0.0 111.101 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.781 HD12 ' HA ' ' A' ' 138' ' ' ALA . 32.7 mt -85.86 -73.83 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.867 HG21 HG23 ' A' ' 93' ' ' THR . 3.7 m -43.98 -37.81 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 39.8 m -61.06 -57.22 13.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.193 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' PHE . . . . . 0.452 ' CD2' ' HB3' ' A' ' 19' ' ' ALA . 4.2 t80 -54.15 -35.43 62.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.704 HD12 ' HA ' ' A' ' 142' ' ' VAL . 65.1 mt -63.26 -72.21 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 44.9 p -50.06 -18.0 0.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.179 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 7.2 mtpp -74.36 -49.63 21.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.598 HG13 HD22 ' A' ' 149' ' ' LEU . 7.2 p -96.64 -49.74 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.723 ' CD1' HG23 ' A' ' 85' ' ' VAL . 4.3 mm? -55.58 -69.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 10.5 mp -67.79 -37.54 82.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -60.58 -111.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.538 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -154.63 172.92 17.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.762 0.315 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . 0.416 ' HD2' ' C ' ' A' ' 153' ' ' ARG . 7.7 ppt_? -126.12 170.45 11.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 19.6 mmtp -126.99 -53.23 1.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 2.5 m -133.99 164.88 26.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.862 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -117.63 127.23 7.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.503 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 97.05 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.748 2.299 . . . . 0.0 112.343 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 8.4 t -102.56 131.33 49.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.812 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 86.0 p -78.76 112.41 15.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.9 p -140.81 154.45 46.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.909 0.385 . . . . 0.0 110.891 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 t -83.56 128.96 34.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.807 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.55 173.51 35.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.3 p -140.09 161.73 36.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.352 . . . . 0.0 110.864 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.5 p -143.25 109.46 5.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.09 -44.67 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.502 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.6 mtm -82.17 -54.58 5.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.757 0.313 . . . . 0.0 110.846 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 m -48.09 126.28 10.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.624 HG23 ' H ' ' A' ' 13' ' ' ASP . 12.3 t -101.62 154.51 18.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.15 -33.71 75.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.54 -56.15 23.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.073 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.624 ' H ' HG23 ' A' ' 10' ' ' THR . 2.9 m-20 -57.98 -39.26 77.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.564 HD23 ' O ' ' A' ' 10' ' ' THR . 0.4 OUTLIER -52.09 -52.9 48.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mt -45.57 -55.8 5.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.74 -41.27 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -70.44 -50.92 33.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.64 137.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.502 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.93 119.2 31.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.341 . . . . 0.0 111.063 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.51 121.23 13.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 p -156.03 167.67 29.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.7 m -79.14 133.98 36.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.0 m -119.81 178.45 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.723 HD11 ' HB2' ' A' ' 56' ' ' PRO . 2.3 tm? -108.58 113.58 26.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -89.31 95.96 10.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.562 HD22 ' CD2' ' A' ' 100' ' ' TRP . 48.6 mt -61.03 -66.9 0.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.6 t -172.74 165.09 5.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.164 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.3 t -117.95 115.73 25.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.581 HG21 ' HA ' ' A' ' 43' ' ' ALA . 74.0 t -102.08 129.25 53.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.168 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -65.24 117.6 8.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.614 HG21 ' HB1' ' A' ' 39' ' ' ALA . 76.5 p -118.3 37.43 4.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 31' ' ' THR . 11.0 pt-20 -34.81 -48.43 0.39 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.42 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 22.7 t -94.55 -38.7 10.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.849 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -66.42 134.78 53.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.457 HG22 ' ND2' ' A' ' 124' ' ' ASN . 58.9 p -143.48 -176.92 5.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.95 -148.1 13.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -29.32 23.75 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.655 2.237 . . . . 0.0 112.361 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -57.99 -40.39 80.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.614 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -65.87 -47.25 75.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.087 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.566 HG12 ' OD1' ' A' ' 94' ' ' ASP . 98.6 t -59.31 -44.2 91.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.173 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.489 ' HB2' ' HG2' ' A' ' 95' ' ' PRO . . . -60.9 -61.07 2.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.084 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 41' ' ' ALA . 14.3 ttt180 -36.95 -60.87 0.59 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.672 ' HB2' ' SG ' ' A' ' 126' ' ' CYS . . . -41.12 -51.75 3.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.074 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.447 ' OG ' HD11 ' A' ' 128' ' ' LEU . 17.0 m -59.76 -44.32 93.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 t -57.76 -43.61 85.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.85 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.12 -37.27 66.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.072 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.18 -34.6 64.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.046 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mt -98.85 -35.73 10.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.4 t -64.45 -52.33 58.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.841 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -73.04 146.83 45.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.517 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 3.8 m -149.87 157.75 37.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.702 0.763 . . . . 0.0 110.84 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.9 Cg_endo -69.71 130.25 16.24 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.724 -1.782 . . . . 0.0 112.331 -0.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.568 ' HD3' ' CH2' ' A' ' 100' ' ' TRP . 4.4 ptp85 -34.62 142.29 0.24 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.65 0.738 . . . . 0.0 110.854 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 145.47 57.38 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 98.1 m -77.11 116.43 57.36 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.595 0.712 . . . . 0.0 111.135 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.723 ' HB2' HD11 ' A' ' 24' ' ' LEU . 54.0 Cg_endo -69.78 148.33 64.7 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.396 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -124.7 142.28 51.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.104 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.452 HG13 ' O ' ' A' ' 58' ' ' VAL . 8.3 p -90.98 127.73 43.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.508 HG12 ' HA ' ' A' ' 72' ' ' ASP . 27.6 m -136.22 171.69 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -82.74 146.94 28.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.426 ' HZ ' HD11 ' A' ' 145' ' ' ILE . 10.9 t80 -128.08 121.1 28.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -130.75 133.12 45.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.1 t -113.08 98.82 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -127.69 176.63 7.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.58 -47.73 84.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -45.93 -33.67 3.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 142.5 -129.49 3.87 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.469 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.4 mm -122.46 138.46 52.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 0.0 111.167 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.8 m -126.36 142.4 51.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.183 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.5 mt -144.02 132.51 22.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.5 m -130.65 137.09 49.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.508 ' HA ' HG12 ' A' ' 59' ' ' VAL . 30.3 t0 -113.25 -48.52 2.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.4 m120 63.61 25.08 14.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -106.16 -21.67 13.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 54.78 45.56 26.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -118.04 -48.2 2.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mt -112.19 -44.9 3.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.542 ' CG ' ' O ' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -165.79 106.6 0.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 78' ' ' PHE . 54.9 t80 -36.67 -60.31 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.402 ' HD3' ' C ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -173.9 147.16 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.846 -179.896 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -145.84 134.29 21.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -111.89 137.58 49.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -116.63 145.3 35.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.689 0.757 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -175.86 1.29 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.69 2.26 . . . . 0.0 112.364 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.626 HG23 ' CD1' ' A' ' 149' ' ' LEU . 13.7 p -92.36 -30.42 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.178 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 87' ' ' SER . 4.6 m-20 -69.15 -57.01 5.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.483 ' O ' HG23 ' A' ' 89' ' ' THR . 94.9 p -35.99 -48.46 0.59 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.0 mt -59.36 129.16 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.138 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 87' ' ' SER . 30.4 p -132.91 -50.12 0.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -119.95 140.12 51.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.6 t -162.25 111.2 1.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.6 m -166.58 153.65 9.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.831 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.606 HG23 HG21 ' A' ' 142' ' ' VAL . 8.8 p -47.61 139.6 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.17 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.566 ' OD1' HG12 ' A' ' 40' ' ' VAL . 2.9 t70 -42.09 135.79 2.3 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.63 0.729 . . . . 0.0 110.856 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.489 ' HG2' ' HB2' ' A' ' 41' ' ' ALA . 53.5 Cg_endo -69.77 -6.6 18.98 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.322 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -95.34 -24.25 16.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 52.39 44.23 30.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.435 ' HB3' HD12 ' A' ' 110' ' ' ILE . 9.2 ttm180 -87.48 176.65 7.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -114.26 141.93 46.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.568 ' CH2' ' HD3' ' A' ' 53' ' ' ARG . 52.0 t-105 -108.02 102.61 11.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.9 m -69.62 92.53 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.16 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -48.65 156.13 0.91 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.642 0.734 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 0.08 6.19 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.742 2.295 . . . . 0.0 112.301 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -92.38 -43.48 9.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 134.25 41.01 0.16 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 29.3 p -146.53 164.79 31.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.895 0.378 . . . . 0.0 111.127 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.0 p -107.8 157.44 18.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 24.0 p -157.91 161.51 38.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -81.71 142.15 32.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.435 HD12 ' HB3' ' A' ' 98' ' ' ARG . 23.2 mt -98.77 126.46 51.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 129' ' ' PHE . 13.5 p90 -144.64 165.27 28.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 170.89 161.12 21.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -112.9 173.91 6.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 21.0 t -119.34 104.15 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.101 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -109.25 159.46 16.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.082 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -85.02 137.07 33.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.475 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 24.3 tttm -46.08 140.71 4.91 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.586 0.708 . . . . 0.0 110.878 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 54.0 Cg_endo -69.72 -14.34 36.06 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.728 2.285 . . . . 0.0 112.332 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -104.52 -34.4 3.6 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.513 ' HB3' ' CE2' ' A' ' 122' ' ' TRP . 74.5 m -131.71 121.12 17.95 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.64 0.733 . . . . 0.0 110.915 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.443 ' HD2' ' CZ3' ' A' ' 122' ' ' TRP . 53.7 Cg_endo -69.72 -28.11 25.83 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.71 2.273 . . . . 0.0 112.344 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.532 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 42.7 p90 -76.28 -22.96 54.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.532 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 21.9 mt-10 -96.8 116.87 29.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.457 ' ND2' HG22 ' A' ' 35' ' ' THR . 2.1 m-80 -98.92 139.43 34.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 93.0 t -125.76 115.54 43.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.672 ' SG ' ' HB2' ' A' ' 43' ' ' ALA . 12.7 p -80.16 130.45 35.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.864 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -105.84 108.95 20.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.447 HD11 ' OG ' ' A' ' 44' ' ' SER . 8.2 tp -81.51 150.79 28.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' A' ' 111' ' ' PHE . 51.3 m-85 -151.88 171.12 18.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -145.16 145.0 31.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.62 ' HG3' ' HB2' ' A' ' 138' ' ' ALA . 40.4 mt-10 -53.91 119.92 5.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 7.3 tp -88.18 -52.22 5.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.434 ' CG ' ' HD2' ' A' ' 134' ' ' PRO . 5.7 t70 -111.45 140.17 22.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.614 0.721 . . . . 0.0 110.915 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.434 ' HD2' ' CG ' ' A' ' 133' ' ' ASP . 53.9 Cg_endo -69.7 -25.55 28.76 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.06 -45.38 87.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -108.63 110.37 61.37 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.584 0.706 . . . . 0.0 110.911 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 151.73 68.81 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.659 2.239 . . . . 0.0 112.352 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.636 ' HA ' HD12 ' A' ' 141' ' ' ILE . . . -56.82 -39.1 73.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -55.39 -52.44 47.66 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.511 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -49.62 -36.07 23.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.79 0.329 . . . . 0.0 111.093 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.636 HD12 ' HA ' ' A' ' 138' ' ' ALA . 22.0 mt -70.84 -71.84 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.606 HG21 HG23 ' A' ' 93' ' ' THR . 15.5 m -46.05 -45.1 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.442 ' N ' HG23 ' A' ' 142' ' ' VAL . 98.4 m -58.6 -49.55 77.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -56.37 -44.59 80.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.475 ' O ' HD23 ' A' ' 149' ' ' LEU . 93.9 mt -51.28 -62.88 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.5 ' HA ' HD13 ' A' ' 150' ' ' LEU . 58.9 p -59.02 -42.63 90.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.102 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -48.95 -43.74 40.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 91.8 t -91.3 -61.45 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.626 ' CD1' HG23 ' A' ' 85' ' ' VAL . 4.1 mm? -48.89 -70.9 0.08 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.5 HD13 ' HA ' ' A' ' 146' ' ' THR . 6.1 mp -62.49 -45.33 93.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -90.95 79.9 1.36 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.469 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -122.94 85.93 2.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.768 0.318 . . . . 0.0 110.904 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -96.1 93.47 6.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt 54.13 45.93 26.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 33.3 m -81.35 130.82 35.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.84 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 130.04 68.75 0.11 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.484 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -175.88 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.631 2.221 . . . . 0.0 112.298 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 32.9 p -54.91 158.72 2.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 16.5 m -125.61 155.53 40.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.7 t -109.88 -45.94 3.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.852 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.7 p 44.79 41.16 4.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.72 109.72 1.44 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.474 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.1 t -169.04 127.5 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 110.848 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.2 p -64.85 142.83 58.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.65 175.93 17.26 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.1 mmt -111.63 87.51 2.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.5 m -148.38 119.15 7.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.444 HG23 ' HB2' ' A' ' 13' ' ' ASP . 1.5 t -70.07 151.97 44.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.16 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.5 -39.91 24.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.07 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -45.25 -51.35 10.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.145 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.444 ' HB2' HG23 ' A' ' 10' ' ' THR . 1.7 m-20 -63.07 -58.74 6.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.2 mt -38.19 -55.83 1.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.12 -41.36 12.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.8 mmt-85 -52.33 -34.02 45.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -84.79 -74.89 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.94 140.63 3.32 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.53 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.12 119.7 25.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.782 0.325 . . . . 0.0 111.116 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -140.7 127.81 20.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.1 m -160.15 179.09 9.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 p -87.87 130.18 34.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.405 HG22 ' HB2' ' A' ' 61' ' ' PHE . 22.2 m -116.13 166.15 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.142 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.68 ' C ' HD13 ' A' ' 24' ' ' LEU . 1.3 tm? -98.55 117.2 32.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.675 ' N ' HD13 ' A' ' 24' ' ' LEU . 68.1 t80 -88.83 116.75 27.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.563 HD11 ' HB2' ' A' ' 130' ' ' ALA . 16.1 mt -89.06 -69.5 0.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.9 t -174.4 173.69 2.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.147 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.6 p -135.99 128.11 29.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.804 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.3 t -111.3 132.52 59.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -59.6 116.14 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.771 HG21 ' HB1' ' A' ' 39' ' ' ALA . 61.7 p -114.28 42.84 2.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.148 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -42.42 -50.5 5.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 t -91.66 -30.07 16.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -75.23 136.98 40.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.2 t -153.73 170.47 20.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.12 -156.77 53.57 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.449 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 2.23 3.73 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.717 2.278 . . . . 0.0 112.341 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -88.06 -48.02 8.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.771 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -52.16 -46.19 65.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.5 t -61.99 -23.92 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.431 ' HB2' ' HG3' ' A' ' 95' ' ' PRO . . . -79.83 -33.82 39.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.083 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 45' ' ' SER . 16.6 ttt85 -68.02 -60.1 2.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.31 -51.69 2.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 p -61.33 -32.82 72.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 49' ' ' SER . 5.5 t -62.29 -42.24 99.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.858 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.2 -30.35 54.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.093 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.74 -39.13 76.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.127 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mt -98.98 -34.44 10.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 45' ' ' SER . 45.2 t -65.37 -44.64 86.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 87.3 m -61.22 137.86 58.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.489 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 15.4 m -137.97 128.0 15.25 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.681 0.753 . . . . 0.0 110.852 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.8 Cg_endo -69.77 178.77 24.33 Favored 'Cis proline' 0 C--N 1.342 0.224 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.354 -0.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.7 mtt85 -83.8 150.26 58.69 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.623 0.725 . . . . 0.0 110.861 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 165.57 30.57 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.664 2.243 . . . . 0.0 112.337 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 93.8 m -105.45 118.63 55.17 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.578 0.704 . . . . 0.0 111.145 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.6 ' CB ' HD11 ' A' ' 24' ' ' LEU . 53.1 Cg_endo -69.79 177.73 5.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.254 . . . . 0.0 112.339 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.36 141.02 18.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.1 m -80.91 131.12 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.597 HG12 ' HB3' ' A' ' 72' ' ' ASP . 5.1 m -144.33 -179.61 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -95.34 159.14 15.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.405 ' HB2' HG22 ' A' ' 23' ' ' VAL . 38.4 t80 -144.25 143.84 31.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -151.33 152.76 33.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.416 HG11 ' CD2' ' A' ' 144' ' ' PHE . 41.0 t -132.27 110.47 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.8 m -132.43 -175.94 3.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.3 -18.26 60.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.045 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -82.62 -19.24 38.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.425 ' HA2' HD11 ' A' ' 149' ' ' LEU . . . 134.08 -143.8 15.58 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.533 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.1 mt -116.15 129.85 71.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 111.133 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.1 m -113.4 123.96 51.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.3 mt -119.73 130.49 55.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 58.1 m -145.69 136.17 24.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.159 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.597 ' HB3' HG12 ' A' ' 59' ' ' VAL . 0.6 OUTLIER -112.6 176.71 4.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.899 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.408 HD22 ' N ' ' A' ' 73' ' ' ASN . 1.9 m-80 -114.94 -17.02 11.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.51 -8.38 41.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 40.54 46.4 2.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.0 mmtm -80.48 -71.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.474 HD22 ' N ' ' A' ' 77' ' ' LEU . 3.5 mm? -73.7 -40.74 63.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.482 ' CD1' ' HB2' ' A' ' 81' ' ' ARG . 15.8 p90 -169.9 140.11 2.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -67.71 -66.99 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -123.99 146.17 48.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.482 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 18.6 ttm-85 -166.5 129.92 1.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -145.47 150.53 36.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -118.69 146.46 39.97 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.665 0.745 . . . . 0.0 110.924 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 147.75 63.62 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.679 2.253 . . . . 0.0 112.366 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.706 HG23 HD13 ' A' ' 149' ' ' LEU . 14.3 p -52.76 -32.35 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.158 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 87' ' ' SER . 30.6 t-20 -65.31 -63.77 1.02 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 86' ' ' ASN . 3.7 m -35.32 -47.5 0.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 50.2 mt -70.86 101.31 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.14 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 43.3 p -105.9 -22.46 12.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -140.76 150.09 42.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.0 t -171.13 114.86 0.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.8 p -167.76 155.15 8.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.931 HG23 HG21 ' A' ' 142' ' ' VAL . 28.7 p -46.34 159.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.115 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.415 ' CG ' ' HD2' ' A' ' 95' ' ' PRO . 7.9 t70 -65.23 139.63 97.61 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.589 0.709 . . . . 0.0 110.828 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.431 ' HG3' ' HB2' ' A' ' 41' ' ' ALA . 53.3 Cg_endo -69.77 -40.08 5.73 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 2.247 . . . . 0.0 112.313 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -55.62 -17.34 5.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.0 t0 49.48 33.42 5.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 70.2 mtt-85 -91.08 175.97 6.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.3 mmt85 -115.25 159.47 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 49.7 t-105 -110.16 112.9 25.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.2 m -70.7 95.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -49.1 156.12 1.02 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.601 0.715 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -0.15 6.52 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.703 2.269 . . . . 0.0 112.379 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -98.21 -31.28 12.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 126.3 28.28 1.02 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.44 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 75.0 p -129.45 171.99 11.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.854 0.359 . . . . 0.0 111.154 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.2 p -118.14 144.93 45.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.152 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.5 m -136.51 173.66 11.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -88.37 132.05 34.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 54.9 mt -90.76 138.38 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.415 ' O ' ' N ' ' A' ' 129' ' ' PHE . 8.0 p90 -157.99 166.94 31.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 176.18 -168.69 40.99 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -152.94 167.54 28.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.5 t -118.76 122.33 69.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.158 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -132.78 141.12 48.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.079 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 46.6 mttm -67.62 145.03 55.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.465 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 43.2 tttt -69.21 140.4 90.6 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.554 0.693 . . . . 0.0 110.934 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 54.0 Cg_endo -69.81 -24.93 28.91 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.669 2.246 . . . . 0.0 112.336 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -103.03 -29.38 5.8 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.466 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.498 ' HB3' ' CG ' ' A' ' 123' ' ' GLU . 59.1 m -120.76 82.53 34.78 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.645 0.735 . . . . 0.0 110.881 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -1.13 7.93 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.703 2.269 . . . . 0.0 112.379 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.428 ' CD1' ' HG2' ' A' ' 123' ' ' GLU . 15.6 p90 -98.13 7.18 46.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.498 ' CG ' ' HB3' ' A' ' 120' ' ' SER . 0.5 OUTLIER -149.2 134.95 18.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -93.81 150.83 20.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 41.8 t -134.85 133.16 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.9 t -109.7 141.72 41.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -113.97 112.58 23.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.422 ' HG ' HD12 ' A' ' 26' ' ' LEU . 10.6 tp -75.14 148.79 39.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 111' ' ' PHE . 36.5 m-85 -151.6 172.02 16.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.563 ' HB2' HD11 ' A' ' 26' ' ' LEU . . . -149.99 159.17 44.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.063 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.821 ' HG3' ' HB2' ' A' ' 138' ' ' ALA . 26.3 mt-10 -61.59 130.63 46.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.42 HD23 ' C ' ' A' ' 132' ' ' LEU . 10.3 tt -113.64 -48.21 2.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.431 ' CG ' ' HD2' ' A' ' 134' ' ' PRO . 4.4 t70 -110.79 141.08 23.37 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.547 0.689 . . . . 0.0 110.91 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.431 ' HD2' ' CG ' ' A' ' 133' ' ' ASP . 53.8 Cg_endo -69.72 -38.5 7.79 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.248 . . . . 0.0 112.375 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -43.99 -49.41 8.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -116.83 109.23 43.4 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.569 0.7 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 164.72 33.53 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.674 2.249 . . . . 0.0 112.327 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.821 ' HB2' ' HG3' ' A' ' 131' ' ' GLU . . . -63.12 -32.61 74.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -66.59 -40.21 94.08 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.79 -29.62 66.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.75 0.31 . . . . 0.0 111.109 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 82.9 mt -73.63 -71.13 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.156 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.931 HG21 HG23 ' A' ' 93' ' ' THR . 2.3 m -43.9 -49.13 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 86.3 m -51.73 -66.49 0.38 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.195 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' PHE . . . . . 0.416 ' CD2' HG11 ' A' ' 63' ' ' VAL . 12.6 t80 -39.56 -48.25 2.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.721 HD12 ' HA ' ' A' ' 142' ' ' VAL . 27.0 mt -54.52 -64.56 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.593 ' HA ' HD13 ' A' ' 150' ' ' LEU . 45.1 p -53.67 -17.51 2.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.167 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -86.93 -43.55 12.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 42.9 t -94.84 -65.89 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.706 HD13 HG23 ' A' ' 85' ' ' VAL . 4.4 mm? -46.43 -46.75 18.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.95 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.593 HD13 ' HA ' ' A' ' 146' ' ' THR . 5.0 mp -90.13 -8.41 51.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 153' ' ' ARG . . . -70.03 -48.78 38.1 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.511 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 39.73 26.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.819 0.342 . . . . 0.0 110.912 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 151' ' ' GLY . 20.7 mmt180 -67.72 -174.76 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.94 134.95 55.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 43.0 t -175.47 132.13 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.843 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 91.24 92.59 1.33 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.89 170.59 16.37 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.704 2.269 . . . . 0.0 112.307 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 8.0 m -79.81 89.22 5.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 57.3 p -166.48 138.08 3.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.533 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.7 p 39.6 43.21 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.854 0.359 . . . . 0.0 110.83 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 t -156.52 111.01 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.95 169.89 13.68 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 t -168.91 140.68 2.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.897 0.38 . . . . 0.0 110.829 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -59.7 -57.52 12.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.9 35.82 92.36 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.497 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.2 mtt 42.37 35.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.766 0.317 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -131.1 139.71 49.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -159.87 166.94 29.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.438 ' HA ' HD13 ' A' ' 14' ' ' LEU . . . -62.23 -24.91 67.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -43.6 -34.97 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.088 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -89.29 -48.18 7.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 11' ' ' ALA . 6.9 mp -42.73 -35.08 1.03 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.8 mt -79.41 -47.09 16.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.8 mtt-85 -52.93 -28.43 23.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -72.26 -67.81 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.36 131.26 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.18 122.68 41.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.788 0.328 . . . . 0.0 111.093 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.2 126.32 18.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.2 m -161.16 175.71 12.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.7 m -90.34 126.64 35.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.8 m -111.15 177.01 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.675 ' C ' HD13 ' A' ' 24' ' ' LEU . 2.0 tm? -106.14 114.1 28.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.537 ' N ' HD13 ' A' ' 24' ' ' LEU . 17.6 t80 -80.38 108.21 13.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.555 HD12 ' HG ' ' A' ' 128' ' ' LEU . 36.4 mt -78.47 -70.7 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.4 t -174.49 165.45 3.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.0 p -129.12 131.2 47.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.7 t -119.87 151.56 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.068 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -71.78 126.86 30.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.902 HG21 ' HB1' ' A' ' 39' ' ' ALA . 34.7 p -122.29 38.51 4.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.156 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 31' ' ' THR . 3.4 pt-20 -36.92 -60.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.46 -18.68 26.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.698 HD13 ' HB3' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -79.98 141.82 35.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.9 t -161.03 173.3 15.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.84 -144.23 46.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.483 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -7.66 21.61 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.711 2.274 . . . . 0.0 112.321 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.698 ' HB3' HD13 ' A' ' 34' ' ' LEU . 34.4 mt-30 -79.47 -59.37 2.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.902 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -45.01 -33.14 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.2 t -78.88 -29.94 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.499 ' HB2' ' HG3' ' A' ' 95' ' ' PRO . . . -80.86 -17.14 51.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 -80.88 -62.9 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.528 ' HB2' ' SG ' ' A' ' 126' ' ' CYS . . . -44.14 -47.45 9.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.6 m -51.89 -41.23 61.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.4 m -66.49 -42.93 86.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.55 -14.12 60.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.082 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.11 -31.29 27.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.2 mt -94.22 -40.32 10.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 50' ' ' CYS . 29.1 t -65.51 -51.96 56.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 49' ' ' SER . 2.8 t -35.49 151.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.487 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 1.7 t -162.1 126.63 2.03 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.661 0.743 . . . . 0.0 110.877 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 51' ' ' SER . 54.1 Cg_endo -69.75 142.37 69.86 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.715 -1.785 . . . . 0.0 112.337 -0.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -42.5 151.62 0.37 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.63 0.729 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 145.64 57.91 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.629 2.22 . . . . 0.0 112.37 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.3 m -90.71 111.18 46.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.591 0.71 . . . . 0.0 111.131 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.491 ' CB ' HD11 ' A' ' 24' ' ' LEU . 53.9 Cg_endo -69.76 170.68 16.0 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.677 2.251 . . . . 0.0 112.332 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.47 153.18 33.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.5 m -81.11 133.35 29.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.437 HG11 ' CE1' ' A' ' 78' ' ' PHE . 35.7 m -143.55 -176.35 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.196 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 -100.45 156.87 17.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.406 ' CE2' HG23 ' A' ' 141' ' ' ILE . 35.4 t80 -145.15 115.9 7.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -123.78 138.87 54.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 64.1 t -117.62 101.85 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 m -125.65 -179.47 4.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.89 -22.81 52.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.08 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -75.85 -16.21 60.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.421 ' HA2' HD11 ' A' ' 149' ' ' LEU . . . 134.59 -140.72 11.99 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.478 HG12 ' CD1' ' A' ' 88' ' ' ILE . 9.2 mm -118.08 130.44 72.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.863 0.363 . . . . 0.0 111.136 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.3 m -119.01 118.38 31.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.19 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -113.92 150.31 33.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.429 HG22 ' N ' ' A' ' 72' ' ' ASP . 45.1 m -145.53 155.41 43.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.429 ' N ' HG22 ' A' ' 71' ' ' THR . 36.2 t0 -138.97 145.08 39.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -96.57 -38.16 10.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 75' ' ' ARG . 53.1 mm-40 -83.51 1.37 42.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 74' ' ' GLN . 55.6 mtt180 34.61 40.69 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.5 mmtm -62.17 -65.83 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.433 HD22 ' N ' ' A' ' 77' ' ' LEU . 3.2 mm? -96.92 -51.85 4.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.437 ' CE1' HG11 ' A' ' 59' ' ' VAL . 42.6 p90 -132.16 148.75 52.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -93.05 -68.93 0.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -132.81 120.13 21.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -132.1 147.43 52.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -157.91 123.23 4.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -113.02 147.16 36.66 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.685 0.755 . . . . 0.0 110.943 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -173.65 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.313 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.841 HG23 HD13 ' A' ' 149' ' ' LEU . 12.8 p -96.39 -12.36 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -83.89 -18.57 37.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.428 ' O ' HG23 ' A' ' 89' ' ' THR . 53.6 p -77.29 -59.61 2.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.478 ' CD1' HG12 ' A' ' 68' ' ' ILE . 22.1 mt -56.59 129.4 18.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.428 HG23 ' O ' ' A' ' 87' ' ' SER . 52.7 p -126.82 -28.86 2.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -133.9 150.59 51.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.8 t -172.35 115.08 0.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.842 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.9 t -168.32 147.18 4.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.761 HG23 HG21 ' A' ' 142' ' ' VAL . 3.5 p -40.24 161.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.469 ' OD2' ' N ' ' A' ' 97' ' ' ASP . 15.6 t70 -58.19 133.92 84.46 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.665 0.745 . . . . 0.0 110.822 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.499 ' HG3' ' HB2' ' A' ' 41' ' ' ALA . 53.5 Cg_endo -69.82 -32.35 18.49 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.317 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 43.8 mm-40 -81.67 -11.23 59.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.469 ' N ' ' OD2' ' A' ' 94' ' ' ASP . 1.3 m-20 54.76 28.42 10.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -72.93 153.14 41.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -104.9 160.81 14.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 52.0 t-105 -124.3 120.71 32.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 60.7 m -80.57 94.88 6.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.108 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -46.75 159.49 0.37 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.657 0.742 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -4.94 15.07 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.659 2.24 . . . . 0.0 112.299 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -89.11 -33.19 17.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 122.91 52.27 0.21 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.475 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.0 t -163.9 151.58 12.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.359 . . . . 0.0 111.143 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 39.9 p -89.54 152.38 21.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.7 p -143.35 152.09 41.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.44 ' HD3' ' N ' ' A' ' 110' ' ' ILE . 5.0 tmtm? -70.4 132.41 45.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.44 ' N ' ' HD3' ' A' ' 109' ' ' LYS . 96.5 mt -91.21 140.19 16.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.686 ' CD1' ' HB1' ' A' ' 138' ' ' ALA . 3.9 p90 -161.47 164.56 29.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 177.06 -169.79 42.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.541 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -153.92 158.26 40.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.916 0.388 . . . . 0.0 110.871 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.0 t -102.46 126.14 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -131.73 148.56 52.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.107 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -78.44 136.75 37.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.47 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 64.3 tttt -56.88 139.79 77.4 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.606 0.717 . . . . 0.0 110.858 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 54.3 Cg_endo -69.76 -19.08 36.61 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.734 2.29 . . . . 0.0 112.355 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -110.59 -23.94 5.77 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.506 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.505 ' HB3' ' CG ' ' A' ' 123' ' ' GLU . 62.5 m -121.26 81.54 37.49 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.671 0.748 . . . . 0.0 110.875 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.46 ' HD2' ' CZ3' ' A' ' 122' ' ' TRP . 53.0 Cg_endo -69.84 -1.98 9.46 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.688 2.259 . . . . 0.0 112.313 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.509 ' CD1' ' HG2' ' A' ' 123' ' ' GLU . 36.1 p90 -91.39 -17.21 26.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.509 ' HG2' ' CD1' ' A' ' 122' ' ' TRP . 0.8 OUTLIER -122.6 179.05 4.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -136.42 153.93 50.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.4 t -140.04 140.82 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.528 ' SG ' ' HB2' ' A' ' 43' ' ' ALA . 26.0 p -102.55 158.01 16.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -133.94 101.47 5.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.573 ' O ' ' CD1' ' A' ' 129' ' ' PHE . 10.9 tp -71.79 151.8 43.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 128' ' ' LEU . 27.0 m-85 -153.97 165.45 36.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -135.32 139.75 44.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.503 ' HB3' ' HB2' ' A' ' 138' ' ' ALA . 2.1 pp20? -54.02 108.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 9.5 tt -79.06 -51.68 9.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -88.42 128.12 54.28 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.58 0.705 . . . . 0.0 110.833 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -35.63 12.1 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.653 2.235 . . . . 0.0 112.337 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -55.25 -28.56 54.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.461 ' O ' ' CG ' ' A' ' 136' ' ' GLN . 8.2 pt20 -129.46 118.49 19.05 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.634 0.73 . . . . 0.0 110.882 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 149.41 66.65 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.648 2.232 . . . . 0.0 112.321 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.686 ' HB1' ' CD1' ' A' ' 111' ' ' PHE . . . -47.64 -28.06 2.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.123 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -66.89 -39.24 93.35 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -59.29 -14.28 10.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.748 0.309 . . . . 0.0 111.106 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.406 HG23 ' CE2' ' A' ' 61' ' ' PHE . 89.8 mt -89.15 -55.15 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.85 ' HA ' HD12 ' A' ' 145' ' ' ILE . 2.6 m -62.53 -32.98 57.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 54.6 m -61.23 -49.11 78.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.186 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -60.95 -34.14 74.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.85 HD12 ' HA ' ' A' ' 142' ' ' VAL . 64.5 mt -61.37 -66.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 54.0 p -52.85 -28.11 21.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -71.49 -42.67 67.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 33.2 t -93.64 -60.57 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.841 HD13 HG23 ' A' ' 85' ' ' VAL . 1.1 mm? -53.05 -65.83 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 6.2 mp -75.01 4.98 5.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -120.89 91.47 0.48 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.427 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -117.11 107.37 14.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.731 0.3 . . . . 0.0 110.953 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 66.27 36.34 5.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 17.3 tptp -134.17 109.74 9.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 52.3 m -91.47 164.23 13.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.835 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -171.03 -176.43 40.22 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.51 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 126.27 13.1 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.652 2.235 . . . . 0.0 112.326 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 4.7 m -132.93 -55.54 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 25.4 m -133.28 138.64 46.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.501 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t 70.84 42.24 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 0.0 110.838 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.5 p -144.6 132.42 21.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.38 52.89 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.9 t -79.0 90.92 4.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.882 0.372 . . . . 0.0 110.887 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 t -101.63 124.0 46.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.42 -67.65 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.467 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -119.69 155.86 31.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.771 0.319 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.0 t -112.44 -60.16 1.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 11' ' ' ALA . 58.8 p 37.09 45.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.548 ' HA ' HD23 ' A' ' 14' ' ' LEU . . . -35.03 -38.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.108 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.537 ' HA ' HD12 ' A' ' 15' ' ' LEU . . . -51.92 -54.58 27.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -41.88 -63.27 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.811 ' H ' HD22 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -52.32 -59.06 4.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.959 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 12' ' ' ALA . 84.1 mt -36.14 -53.02 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -48.18 -47.03 35.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 14' ' ' LEU . 11.9 mm100 -74.8 -62.91 1.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.36 145.33 0.39 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.451 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.22 122.07 36.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.821 0.343 . . . . 0.0 111.077 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.94 125.88 25.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.414 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 29.7 p -156.45 168.43 27.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.3 m -85.15 131.83 34.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.2 m -113.92 173.38 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.119 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.644 ' C ' HD13 ' A' ' 24' ' ' LEU . 1.5 tm? -105.29 109.75 21.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.487 ' N ' HD13 ' A' ' 24' ' ' LEU . 39.4 t80 -80.95 110.56 16.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.708 HD12 ' HG ' ' A' ' 128' ' ' LEU . 74.1 mt -80.07 -70.9 0.48 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.2 t -175.05 142.89 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 t -101.93 116.99 33.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.4 t -101.42 138.63 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.13 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -64.07 119.48 10.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.867 HG21 ' HB1' ' A' ' 39' ' ' ALA . 56.1 p -115.79 42.51 2.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.134 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -51.81 -47.02 64.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.3 t -87.93 -26.44 22.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.833 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mt -87.35 164.92 15.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.8 t -175.1 164.02 3.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.02 -133.27 36.86 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.481 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -46.14 1.33 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.661 2.241 . . . . 0.0 112.318 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 41' ' ' ALA . 1.0 OUTLIER -46.09 -66.41 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.917 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.867 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -36.19 -45.63 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.2 t -59.31 -41.35 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 38' ' ' GLN . . . -66.14 -47.9 72.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.5 ttt85 -48.68 -55.51 11.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.827 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.405 ' HB2' ' SG ' ' A' ' 126' ' ' CYS . . . -45.45 -56.09 5.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 p -61.16 -59.37 5.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -43.09 -39.66 2.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.0 -36.63 59.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.111 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.21 -36.93 66.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.626 ' N ' HD12 ' A' ' 48' ' ' LEU . 3.8 mp -95.72 -36.56 11.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 49.9 m -63.99 -53.23 53.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -73.85 146.8 43.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.533 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 21.7 p -147.73 153.95 43.54 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.678 0.751 . . . . 0.0 110.867 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.2 Cg_endo -69.71 162.9 83.04 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.344 -0.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.3 mtt85 -59.42 141.67 87.58 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.543 0.687 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 156.31 63.71 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.663 2.242 . . . . 0.0 112.358 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 48.2 m -94.46 112.69 58.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.595 0.712 . . . . 0.0 111.135 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.581 ' CB ' HD11 ' A' ' 24' ' ' LEU . 53.6 Cg_endo -69.75 166.22 28.33 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.711 2.274 . . . . 0.0 112.306 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -137.41 144.88 42.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 75.6 t -82.1 125.35 39.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.416 HG12 ' CG ' ' A' ' 72' ' ' ASP . 10.5 m -141.75 159.33 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -77.5 169.17 18.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.414 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 6.3 t80 -144.18 134.93 25.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.7 tptt -145.71 136.47 24.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.7 t -124.1 116.82 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.2 m -141.27 -175.83 4.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.7 -44.3 97.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.065 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -59.41 -20.29 53.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 133.12 -125.52 4.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.462 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 95.2 mt -130.51 137.58 55.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.914 0.388 . . . . 0.0 111.107 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.8 m -116.1 142.09 47.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.4 mt -139.06 147.49 42.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.1 m -145.28 117.24 8.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.416 ' CG ' HG12 ' A' ' 59' ' ' VAL . 29.6 t0 -110.94 137.91 47.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -80.83 -52.47 7.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 76' ' ' LYS . 23.2 mm-40 -73.53 -22.82 59.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 74' ' ' GLN . 43.2 ptt85 36.05 33.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 74' ' ' GLN . 28.4 mttm -56.23 -37.68 70.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -102.13 -38.88 7.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -166.63 154.58 9.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.59 ' CD2' ' HG3' ' A' ' 80' ' ' ARG . 32.7 t80 -101.73 169.55 8.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.84 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.59 ' HG3' ' CD2' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -34.53 134.4 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -144.86 124.81 13.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -100.81 120.07 39.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -108.43 141.39 23.13 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.715 0.769 . . . . 0.0 110.92 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 156.26 63.89 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.779 HG23 ' CD1' ' A' ' 149' ' ' LEU . 12.1 p -61.63 -26.93 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.172 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 87' ' ' SER . 2.4 t30 -63.91 -63.4 1.17 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 86' ' ' ASN . 59.7 m -36.55 -52.2 0.86 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.1 mt -62.94 93.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 70.5 p -102.19 -42.38 6.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -128.59 139.38 52.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.9 t -160.22 105.84 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.832 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.9 t -155.97 153.64 29.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.819 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.698 HG23 HG21 ' A' ' 142' ' ' VAL . 12.9 p -46.04 165.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.13 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -67.73 139.45 93.71 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.595 0.712 . . . . 0.0 110.874 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -29.57 23.34 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.626 2.217 . . . . 0.0 112.366 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -75.92 -24.82 55.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 42.0 t0 56.33 44.7 24.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -89.29 170.98 10.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.7 mmt85 -111.22 136.06 50.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.462 ' CD1' HD21 ' A' ' 26' ' ' LEU . 41.6 t-105 -98.48 104.55 16.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.8 m -70.36 95.77 1.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.16 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 -47.16 161.22 0.31 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.609 0.719 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 2.56 3.44 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.357 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -102.14 -29.53 11.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 122.76 18.18 3.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.516 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.7 p -115.4 155.89 26.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.909 0.385 . . . . 0.0 111.103 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 32.8 p -106.26 155.0 19.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.4 m -152.24 175.21 12.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -89.32 138.74 31.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 86.0 mt -95.58 132.32 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.42 ' O ' ' N ' ' A' ' 129' ' ' PHE . 4.5 p90 -154.54 168.36 26.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 168.62 157.27 11.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -114.04 168.91 9.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 17.0 t -118.38 117.48 54.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.56 149.09 43.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -73.07 153.7 40.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 46.1 tttt -73.75 133.75 79.25 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.528 0.68 . . . . 0.0 110.918 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -16.36 37.38 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.653 2.235 . . . . 0.0 112.359 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -104.0 -20.94 9.96 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.472 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.408 ' HA ' ' HD2' ' A' ' 121' ' ' PRO . 3.3 m -138.16 106.34 7.98 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 0.0 110.822 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 120' ' ' SER . 53.1 Cg_endo -69.82 -5.24 15.77 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.29 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.531 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 29.5 p90 -110.96 17.08 20.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.531 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 35.4 mt-10 -139.22 115.66 10.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.28 146.73 23.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 95.4 t -134.26 125.8 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.405 ' SG ' ' HB2' ' A' ' 43' ' ' ALA . 20.7 p -93.82 142.92 26.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -115.29 103.48 10.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.708 ' HG ' HD12 ' A' ' 26' ' ' LEU . 9.3 tp -67.89 152.61 45.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.42 ' N ' ' O ' ' A' ' 111' ' ' PHE . 36.7 m-85 -158.36 174.26 15.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -155.08 139.16 16.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.413 ' O ' ' CD ' ' A' ' 131' ' ' GLU . 2.2 pp20? -52.28 117.83 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.9 tt -91.52 -58.77 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -86.69 130.84 47.39 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.624 0.725 . . . . 0.0 110.852 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -12.25 32.59 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.36 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 136' ' ' GLN . 5.5 p-10 -73.8 -21.29 60.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.476 ' N ' ' OD1' ' A' ' 135' ' ' ASP . 21.5 mm-40 -140.81 104.92 6.28 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.589 0.709 . . . . 0.0 110.941 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 136' ' ' GLN . 54.0 Cg_endo -69.69 144.1 53.32 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.66 2.24 . . . . 0.0 112.408 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -39.4 -49.48 2.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.1 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -45.69 -58.55 5.34 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.468 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -45.79 -39.01 7.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 67.3 mt -67.59 -69.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.698 HG21 HG23 ' A' ' 93' ' ' THR . 3.4 m -43.61 -46.23 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 30.6 m -59.35 -51.5 69.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.162 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -53.7 -36.82 62.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 92.0 mt -62.82 -73.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.091 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.563 HG22 HD13 ' A' ' 150' ' ' LEU . 73.1 p -49.05 -32.38 9.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -55.2 -50.93 68.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.799 HG13 HD22 ' A' ' 149' ' ' LEU . 9.1 p -94.96 -53.2 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.799 HD22 HG13 ' A' ' 148' ' ' VAL . 3.9 mm? -51.72 -70.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.563 HD13 HG22 ' A' ' 146' ' ' THR . 6.7 mp -63.79 -42.39 97.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 47.79 92.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.471 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -44.85 -60.48 2.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.783 0.325 . . . . 0.0 110.934 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 17.3 mtm180 -41.99 -53.27 3.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -48.18 118.98 2.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 43.1 m -109.56 96.18 6.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 46.11 77.68 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.515 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 158' ' ' SER . 53.3 Cg_endo -69.81 -17.41 37.35 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.681 2.254 . . . . 0.0 112.34 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 157' ' ' PRO . 47.4 t 37.09 42.17 0.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 32.7 t -123.35 129.74 51.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.945 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 m 44.2 42.35 4.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.376 . . . . 0.0 110.893 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.2 p -111.38 171.68 7.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.57 80.18 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.543 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -106.33 138.0 43.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.9 p -154.43 122.11 5.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.55 157.41 15.54 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.445 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -174.56 172.47 3.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.803 0.335 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 m -97.47 165.97 11.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.424 HG22 ' H ' ' A' ' 10' ' ' THR . 0.4 OUTLIER -68.98 138.7 54.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.25 -27.77 48.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -42.52 -51.01 5.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.05 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 14' ' ' LEU . 52.3 t0 -70.78 -61.55 1.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.483 HD23 ' H ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -36.36 -41.92 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 mt -57.33 -64.52 0.86 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -32.28 58.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.474 ' HG2' ' N ' ' A' ' 18' ' ' GLY . 52.9 tt0 -64.91 163.51 14.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.474 ' N ' ' HG2' ' A' ' 17' ' ' GLN . . . -159.96 132.56 3.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.473 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.01 120.03 37.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.04 120.9 18.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.1 t -159.54 177.33 11.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.429 ' O ' HD22 ' A' ' 132' ' ' LEU . 35.0 m -88.34 129.16 35.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.2 m -115.06 179.45 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.685 HD12 ' HB3' ' A' ' 130' ' ' ALA . 3.5 tm? -111.69 123.91 51.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -95.11 116.64 28.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.441 HD22 ' CD2' ' A' ' 100' ' ' TRP . 19.9 mt -85.91 -71.11 0.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.3 t -174.19 150.77 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.2 p -115.15 114.39 25.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.9 t -98.98 123.87 51.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.185 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -53.0 129.15 29.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.934 HG21 ' HB1' ' A' ' 39' ' ' ALA . 16.1 p -119.53 36.32 4.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.094 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 31' ' ' THR . 12.2 pt-20 -35.66 -49.71 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.5 t -93.71 -27.57 16.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -76.69 139.97 40.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.4 p -151.15 166.53 30.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.79 -154.11 52.99 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.513 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -9.98 27.42 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.692 2.262 . . . . 0.0 112.319 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -79.07 -36.15 41.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.934 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -64.73 -26.16 68.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.075 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.601 HG12 ' OD1' ' A' ' 94' ' ' ASP . 57.5 t -79.2 -40.88 22.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.13 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.66 -49.04 76.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.093 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -46.89 -60.14 2.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.36 -53.61 2.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.075 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m -45.77 -63.67 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.86 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 m -47.03 -43.36 19.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.79 -28.04 68.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.084 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.86 -54.62 17.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.072 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.493 ' N ' HD12 ' A' ' 48' ' ' LEU . 6.4 mp -75.17 -32.11 61.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.923 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.9 t -64.89 -39.06 92.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 23.6 t -60.5 139.14 57.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.513 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 3.1 m -146.82 128.74 7.53 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.696 0.76 . . . . 0.0 110.887 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.6 Cg_endo -69.78 143.5 74.08 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.36 0.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 52' ' ' PRO . 23.3 ptt85 -34.45 151.08 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.562 0.696 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 149.9 67.37 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.311 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 37.4 m -95.04 104.96 16.54 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.613 0.721 . . . . 0.0 111.158 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 173.27 11.2 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.367 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.84 156.54 42.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.459 HG12 ' CD1' ' A' ' 132' ' ' LEU . 1.2 m -91.14 129.0 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.7 m -144.27 152.22 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -75.67 148.15 38.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -136.01 143.4 44.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -145.46 150.41 36.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.7 t -119.97 115.49 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.7 m -134.64 171.37 14.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.32 -33.19 75.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.142 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -66.8 -11.42 55.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 131.68 -126.92 4.85 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.476 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.5 mt -130.22 130.11 65.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.917 0.389 . . . . 0.0 111.132 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.5 m -111.26 136.63 50.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 55.6 mt -128.05 141.81 51.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 32.2 m -134.05 125.56 28.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -115.5 134.04 55.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -99.57 -30.67 12.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.424 ' O ' ' C ' ' A' ' 75' ' ' ARG . 37.1 mm-40 -78.74 -4.75 50.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 74' ' ' GLN . 68.6 mtp180 35.03 39.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -79.02 -50.39 11.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -98.39 -43.52 6.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -168.63 120.71 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -45.46 -69.13 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.848 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -143.67 156.75 44.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -163.96 130.93 3.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.845 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 37.6 t-80 -114.45 138.66 50.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -124.04 143.2 41.78 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.715 0.769 . . . . 0.0 110.911 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 172.2 13.12 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.713 2.275 . . . . 0.0 112.298 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.808 HG23 HD13 ' A' ' 149' ' ' LEU . 12.6 p -87.75 -21.09 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -74.11 -37.18 64.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.483 ' O ' HG23 ' A' ' 89' ' ' THR . 74.5 p -57.47 -51.6 68.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 50.6 mt -61.3 97.78 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.19 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 87' ' ' SER . 71.9 p -101.7 -10.04 20.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -157.54 147.68 20.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.518 ' O ' HG22 ' A' ' 146' ' ' THR . 4.8 t -172.8 110.12 0.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.85 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.1 t -161.16 146.61 14.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.821 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.643 HG23 HG21 ' A' ' 142' ' ' VAL . 0.8 OUTLIER -41.42 151.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.113 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.601 ' OD1' HG12 ' A' ' 40' ' ' VAL . 8.5 t70 -60.13 132.92 90.14 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.593 0.711 . . . . 0.0 110.845 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -43.78 2.46 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.678 2.252 . . . . 0.0 112.369 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -50.58 -19.95 1.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.2 t70 54.27 30.84 13.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -78.43 159.74 28.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 58.1 mmt-85 -107.73 153.19 23.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.441 ' CD2' HD22 ' A' ' 26' ' ' LEU . 64.1 t-105 -113.27 111.2 21.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.8 m -77.91 94.21 4.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.161 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -48.19 157.87 0.63 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.683 0.754 . . . . 0.0 110.835 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -2.82 10.83 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.711 2.274 . . . . 0.0 112.314 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -94.2 -39.02 10.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.873 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 129.81 45.32 0.17 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.522 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.7 p -146.55 152.45 38.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 111.15 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 72.4 p -102.8 150.78 23.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.3 m -151.47 166.03 32.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -83.24 151.32 25.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 62.9 mt -106.23 138.97 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.157 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 129' ' ' PHE . 7.1 p90 -156.28 164.62 38.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -179.25 -161.21 26.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.48 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 1.5 p90 -154.97 164.05 39.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 110.864 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 1.7 t -114.65 127.18 72.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.123 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -143.06 152.13 41.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 19.2 mttm -64.96 125.36 24.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.476 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 10.7 ttmm -40.99 139.98 1.15 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.579 0.704 . . . . 0.0 110.907 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 54.0 Cg_endo -69.78 -15.83 37.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.7 2.267 . . . . 0.0 112.358 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -107.01 -13.94 20.26 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.495 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.437 ' HA ' ' HD2' ' A' ' 121' ' ' PRO . 6.6 m -149.11 105.05 3.36 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.698 0.761 . . . . 0.0 110.806 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 120' ' ' SER . 53.4 Cg_endo -69.83 -21.4 33.24 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.294 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.513 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 33.0 p90 -84.31 18.75 2.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.934 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.513 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 36.2 mt-10 -141.24 169.81 16.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -137.73 143.55 41.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 2.4 p -150.62 112.21 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.126 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.451 ' SG ' HG22 ' A' ' 40' ' ' VAL . 48.9 t -82.61 138.69 34.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -106.1 109.12 20.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.3 tp -70.39 148.11 48.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.955 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' A' ' 111' ' ' PHE . 15.6 m-85 -147.24 173.08 12.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.685 ' HB3' HD12 ' A' ' 24' ' ' LEU . . . -145.58 156.1 43.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -64.93 129.11 38.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.459 ' CD1' HG12 ' A' ' 58' ' ' VAL . 8.3 tt -107.71 -45.09 4.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.68 141.54 26.88 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.616 0.722 . . . . 0.0 110.854 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -50.88 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.725 2.283 . . . . 0.0 112.379 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -42.59 -32.35 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -130.85 90.49 39.73 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.587 0.708 . . . . 0.0 110.858 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 177.54 5.47 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.696 2.264 . . . . 0.0 112.314 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.83 -48.84 51.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -51.83 -32.31 33.2 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -68.19 -26.99 66.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.723 0.296 . . . . 0.0 111.086 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 142' ' ' VAL . 58.1 mt -82.74 -73.62 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.169 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.643 HG21 HG23 ' A' ' 93' ' ' THR . 9.9 m -37.6 -40.14 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 5.8 m -56.25 -70.39 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' PHE . . . . . 0.683 ' CE1' HG21 ' A' ' 148' ' ' VAL . 11.7 t80 -42.96 -36.01 1.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 54.5 mt -63.6 -67.26 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.631 HG23 ' O ' ' A' ' 142' ' ' VAL . 6.1 p -51.65 -30.5 21.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -71.01 -48.52 52.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.683 HG21 ' CE1' ' A' ' 144' ' ' PHE . 67.4 t -88.46 -69.37 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.808 HD13 HG23 ' A' ' 85' ' ' VAL . 2.2 mm? -44.23 -64.37 0.69 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 146' ' ' THR . 12.1 mt -81.67 43.08 0.73 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -177.69 108.67 0.26 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 64.89 47.49 2.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.786 0.327 . . . . 0.0 110.927 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . 0.474 ' H ' ' CD ' ' A' ' 153' ' ' ARG . 0.0 OUTLIER -57.28 161.09 3.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -128.87 82.76 2.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 2.4 t -38.54 -48.04 1.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 94.53 149.07 25.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.515 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 139.87 41.28 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.262 . . . . 0.0 112.345 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 57.8 p -65.26 157.12 29.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 33.7 t -106.52 92.71 4.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.505 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t -166.25 130.18 2.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.906 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 m -144.7 157.88 44.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.823 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.9 79.96 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.445 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.3 p -100.64 110.27 22.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.863 0.363 . . . . 0.0 110.868 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.2 m -143.44 137.89 28.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.24 -148.69 4.92 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.0 tpt -80.21 122.09 26.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.754 0.311 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.1 p -166.16 171.54 12.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.8 p -91.74 82.76 5.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.124 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.74 -49.01 64.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.132 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -42.46 -56.62 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -47.34 -44.93 24.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 14' ' ' LEU . 7.8 mt -62.83 -40.01 96.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.0 mt -67.57 -46.67 72.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -42.71 -40.33 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -52.27 -63.73 1.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.9 119.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.23 120.53 30.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.88 118.79 8.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.472 ' HB2' ' NE2' ' A' ' 136' ' ' GLN . 2.1 t -157.8 178.22 10.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 74.8 m -86.54 137.41 32.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.529 HG22 ' HB2' ' A' ' 61' ' ' PHE . 30.7 m -123.49 -177.05 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.177 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.649 ' C ' HD13 ' A' ' 24' ' ' LEU . 3.0 tm? -113.89 114.84 26.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.542 ' HA ' ' CD2' ' A' ' 129' ' ' PHE . 15.2 t80 -85.66 115.52 23.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.625 HD21 ' HB2' ' A' ' 130' ' ' ALA . 75.2 mt -82.17 -70.54 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.6 t -172.22 137.26 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.1 m -95.89 113.88 25.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.463 HG21 ' HA ' ' A' ' 43' ' ' ALA . 58.9 t -100.66 138.02 26.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.153 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -69.73 116.05 9.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.563 HG21 ' HB1' ' A' ' 39' ' ' ALA . 66.5 p -111.98 36.98 3.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.142 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 31' ' ' THR . 5.1 pt-20 -35.46 -49.43 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -92.03 -41.04 10.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -65.54 136.95 57.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -156.58 161.99 39.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.92 -154.6 43.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.494 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 53.3 Cg_endo -69.78 -1.86 9.21 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.301 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -88.94 -45.9 9.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.563 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -49.92 -46.02 51.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.0 t -53.0 -39.71 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.88 -57.99 8.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.2 ttt85 -39.85 -58.8 1.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.463 ' HA ' HG21 ' A' ' 29' ' ' VAL . . . -52.42 -45.01 65.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.075 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.614 ' OG ' HD11 ' A' ' 128' ' ' LEU . 3.3 m -66.78 -67.64 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.458 ' O ' ' CB ' ' A' ' 49' ' ' SER . 2.0 m -41.89 -36.15 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.61 -39.68 51.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.53 -34.7 59.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.087 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 mt -99.24 -36.69 9.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 45' ' ' SER . 30.8 t -63.87 -53.17 54.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -70.8 147.74 48.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.548 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 38.8 p -153.68 153.3 28.72 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.67 0.747 . . . . 0.0 110.859 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.1 Cg_endo -69.76 133.6 26.27 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.326 -0.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.2 ptp85 -41.78 148.88 0.43 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.621 0.724 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 171.71 14.02 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.708 2.272 . . . . 0.0 112.309 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 98.2 m -103.82 116.0 62.47 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.556 0.693 . . . . 0.0 111.162 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 -179.77 3.18 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.654 2.236 . . . . 0.0 112.322 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -157.55 152.17 25.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.427 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 90.4 t -91.39 114.67 29.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.7 m -127.03 174.16 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -93.08 141.12 28.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.529 ' HB2' HG22 ' A' ' 23' ' ' VAL . 14.2 t80 -122.74 138.81 54.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -150.1 150.42 31.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 71.7 t -136.21 118.16 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 67' ' ' GLY . 5.6 t -138.95 159.4 42.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -42.67 -25.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -84.63 23.32 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 64' ' ' SER . . . 92.04 -135.44 12.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.488 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.505 HD12 ' CE2' ' A' ' 113' ' ' PHE . 87.3 mt -119.63 146.25 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 111.152 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.8 m -130.39 120.07 23.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.197 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 35.4 mt -112.28 128.92 56.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.0 m -117.03 154.28 31.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 79' ' ' PHE . 10.0 t0 -138.12 148.98 45.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -111.34 -43.15 3.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.427 ' NE2' ' O ' ' A' ' 58' ' ' VAL . 0.8 OUTLIER -72.52 -10.75 60.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 74' ' ' GLN . 71.5 mtt180 36.32 47.28 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 47.3 mmtt -80.91 -41.37 23.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 mt -118.36 -38.57 3.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.439 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 26.8 p90 -158.8 139.25 12.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 72' ' ' ASP . 10.7 t80 -75.49 -73.17 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -142.34 126.86 17.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.853 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.4 mmt85 -121.76 125.96 47.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -116.35 128.4 55.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -118.82 141.4 29.99 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.668 0.747 . . . . 0.0 110.924 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 157.35 60.66 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.701 2.268 . . . . 0.0 112.318 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.522 HG23 HD13 ' A' ' 149' ' ' LEU . 1.5 p -61.34 -25.85 37.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.168 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -73.66 -45.06 54.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.5 m -45.52 -55.36 6.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.806 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 15.8 mt -63.06 112.04 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 76.5 p -100.85 -41.44 6.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 37' ' ' PRO . 39.9 t80 -133.02 157.38 45.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.1 t -153.23 112.44 3.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.409 ' C ' HG11 ' A' ' 142' ' ' VAL . 40.9 t -152.81 143.89 23.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.835 HG22 ' HB2' ' A' ' 111' ' ' PHE . 35.2 p -57.32 -79.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -150.15 120.46 3.86 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.587 0.708 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -22.69 31.78 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.716 2.277 . . . . 0.0 112.358 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -91.11 -31.42 16.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 30.2 t0 73.92 54.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.3 mmp_? -109.14 168.41 9.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -103.65 150.79 23.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.545 ' CE2' HD22 ' A' ' 26' ' ' LEU . 35.2 t-105 -102.83 109.58 21.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.2 m -78.49 91.5 4.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.178 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -49.86 157.24 1.09 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.611 0.72 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -7.42 21.0 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.679 2.253 . . . . 0.0 112.361 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -84.72 -34.56 22.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 123.98 39.04 0.51 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.536 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.0 t -143.7 161.45 38.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.841 0.353 . . . . 0.0 111.169 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.7 p -105.41 145.88 30.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 86.3 p -139.42 172.16 13.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -86.05 130.46 34.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 27.8 mt -85.98 137.36 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.835 ' HB2' HG22 ' A' ' 93' ' ' THR . 1.2 p90 -164.07 149.52 10.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -170.52 -170.67 35.08 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.505 ' CE2' HD12 ' A' ' 68' ' ' ILE . 4.0 p90 -147.55 172.48 13.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.902 0.382 . . . . 0.0 110.859 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.401 HG22 ' SG ' ' A' ' 126' ' ' CYS . 12.8 t -119.54 132.0 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.154 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -144.48 143.69 30.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -74.28 151.05 39.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.47 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 35.2 tttt -66.29 139.69 96.46 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.618 0.723 . . . . 0.0 110.864 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 54.1 Cg_endo -69.78 -8.42 23.56 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.716 2.278 . . . . 0.0 112.349 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -121.55 -29.01 1.5 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.432 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.3 m -118.65 84.15 23.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.606 0.717 . . . . 0.0 110.831 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -6.52 18.81 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.663 2.242 . . . . 0.0 112.33 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 3.3 p90 -88.85 0.84 56.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.698 ' OE1' HG23 ' A' ' 125' ' ' VAL . 0.0 OUTLIER -140.44 160.71 39.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -118.22 145.05 45.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.698 HG23 ' OE1' ' A' ' 123' ' ' GLU . 98.6 t -130.42 114.86 29.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.409 ' HB3' HG21 ' A' ' 31' ' ' THR . 41.7 t -94.02 137.0 33.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -112.0 135.89 52.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.614 HD11 ' OG ' ' A' ' 44' ' ' SER . 4.5 tp -100.45 146.93 26.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.542 ' CD2' ' HA ' ' A' ' 25' ' ' TYR . 35.9 m-85 -148.09 173.23 13.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.625 ' HB2' HD21 ' A' ' 26' ' ' LEU . . . -138.48 159.17 42.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.106 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.442 ' HG3' ' HB2' ' A' ' 138' ' ' ALA . 21.8 mt-10 -62.22 128.91 38.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.652 HD23 ' C ' ' A' ' 132' ' ' LEU . 6.6 tt -110.65 -52.4 2.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.416 ' CG ' ' CD2' ' A' ' 132' ' ' LEU . 56.6 m-20 -116.1 141.88 28.4 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.59 0.709 . . . . 0.0 110.851 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -41.94 3.77 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -41.07 -35.12 0.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.472 ' NE2' ' HB2' ' A' ' 21' ' ' CYS . 31.1 mt-30 -129.66 101.25 18.78 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.601 0.715 . . . . 0.0 110.958 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.512 ' HG2' ' HB2' ' A' ' 140' ' ' ALA . 53.5 Cg_endo -69.76 137.5 35.59 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.715 2.276 . . . . 0.0 112.324 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.759 ' HA ' HD12 ' A' ' 141' ' ' ILE . . . -39.99 -43.42 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -59.46 -53.09 49.06 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.528 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.512 ' HB2' ' HG2' ' A' ' 137' ' ' PRO . . . -48.66 -24.37 1.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.762 0.315 . . . . 0.0 111.072 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.759 HD12 ' HA ' ' A' ' 138' ' ' ALA . 33.7 mt -76.83 -73.55 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.801 HG21 HG23 ' A' ' 93' ' ' THR . 5.7 m -41.7 -53.02 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.515 ' H ' HG23 ' A' ' 142' ' ' VAL . 97.4 m -47.53 -67.58 0.26 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.179 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -40.96 -47.05 2.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 142' ' ' VAL . 68.2 mt -53.47 -59.82 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.154 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.594 ' HB ' HD12 ' A' ' 150' ' ' LEU . 74.2 p -53.45 -33.78 55.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -67.25 -39.38 86.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 32.2 t -94.47 -67.47 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.522 HD13 HG23 ' A' ' 85' ' ' VAL . 2.5 mm? -40.97 -70.64 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.594 HD12 ' HB ' ' A' ' 146' ' ' THR . 18.8 mt -64.81 -47.03 79.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.909 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 101.33 132.65 7.83 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.46 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.54 151.13 23.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.789 0.328 . . . . 0.0 110.857 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . 0.418 ' HD2' ' C ' ' A' ' 153' ' ' ARG . 0.0 OUTLIER -124.99 -10.75 7.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -55.31 108.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 10.0 p -47.16 165.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 150.3 98.46 0.18 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 141.82 46.2 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.683 2.255 . . . . 0.0 112.337 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 8.7 t -106.74 177.36 4.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 16.5 m -123.69 166.86 14.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.804 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 t -90.22 164.8 14.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 0.0 110.853 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.2 m -71.12 -51.59 24.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.836 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.5 79.33 0.14 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.489 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.1 p -134.59 163.2 30.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.907 0.384 . . . . 0.0 110.859 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.2 p -91.91 128.81 37.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.67 173.36 28.65 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.0 mmm -122.44 144.83 48.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.826 0.346 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.0 t -136.04 141.82 44.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.9 m -83.18 124.9 30.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.84 -53.78 54.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -46.35 -45.16 17.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.078 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.23 -39.74 94.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.447 HD11 ' CE ' ' A' ' 147' ' ' LYS . 7.8 mt -59.09 -51.03 71.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.509 ' CD2' ' HB2' ' A' ' 65' ' ' ALA . 14.3 mt -60.03 -61.87 2.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.488 ' CG ' ' N ' ' A' ' 17' ' ' GLN . 20.5 ptt85 -49.74 -47.78 50.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.488 ' N ' ' CG ' ' A' ' 16' ' ' ARG . 48.2 mm-40 -42.58 -50.01 5.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.87 117.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.85 121.86 37.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.354 . . . . 0.0 111.064 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.67 137.59 25.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.3 p -163.33 172.42 14.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -85.06 131.92 34.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.6 m -117.84 166.42 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.175 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.745 HD11 ' CB ' ' A' ' 56' ' ' PRO . 2.3 tm? -95.44 111.95 23.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.421 ' N ' HD13 ' A' ' 24' ' ' LEU . 15.5 t80 -77.28 99.24 5.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.523 HD11 ' HB2' ' A' ' 130' ' ' ALA . 66.6 mt -74.36 -71.33 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.5 t -174.66 174.19 2.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.5 t -139.88 122.19 15.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.9 t -105.62 135.54 43.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.177 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -66.96 121.02 14.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.736 HG21 ' HB1' ' A' ' 39' ' ' ALA . 29.4 p -114.22 39.4 2.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 31' ' ' THR . 8.5 pt-20 -35.11 -46.24 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.0 t -96.08 -36.25 11.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 31' ' ' THR . 2.1 mm? -71.23 145.3 49.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.1 t -165.05 163.43 20.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.56 -154.02 45.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.467 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 3.32 2.81 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.242 . . . . 0.0 112.365 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -98.02 -42.97 7.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.736 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -55.86 -41.25 74.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.2 t -63.62 -49.33 82.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.429 ' HB2' ' HG2' ' A' ' 95' ' ' PRO . . . -54.73 -26.73 35.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -73.63 -58.6 3.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.3 -44.35 23.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.458 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 31.3 m -58.45 -55.01 40.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.8 t -57.18 -54.08 50.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -44.44 -27.61 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 44' ' ' SER . . . -66.48 -55.6 14.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.058 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.546 ' H ' HD12 ' A' ' 48' ' ' LEU . 5.2 mp -70.67 -38.81 73.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.1 t -65.69 -49.8 67.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 50.7 t -64.29 138.07 58.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.553 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 33.0 p -150.29 144.68 17.73 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.619 0.724 . . . . 0.0 110.854 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.7 Cg_endo -69.81 130.15 16.14 Favored 'Cis proline' 0 C--N 1.341 0.143 0 C-N-CA 122.631 -1.82 . . . . 0.0 112.362 -0.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.463 ' N ' ' HA ' ' A' ' 51' ' ' SER . 9.3 ptp180 -34.55 145.26 0.18 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.628 0.727 . . . . 0.0 110.856 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 152.06 68.95 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.1 m -88.69 114.17 58.77 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.549 0.69 . . . . 0.0 111.131 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.745 ' CB ' HD11 ' A' ' 24' ' ' LEU . 54.0 Cg_endo -69.74 155.39 66.14 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.702 2.268 . . . . 0.0 112.357 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -136.96 152.83 50.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.1 m -84.17 138.36 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.0 m -144.41 -176.73 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 18.0 t-80 -105.41 149.09 26.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -132.89 136.61 46.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.3 tttt -148.34 133.83 18.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 40.7 t -122.95 118.22 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.4 t -139.25 175.27 9.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.83 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.509 ' HB2' ' CD2' ' A' ' 15' ' ' LEU . . . -54.88 -23.37 18.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.116 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -86.84 24.81 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.471 ' HA2' HD11 ' A' ' 149' ' ' LEU . . . 91.0 -125.32 7.94 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 71.4 mt -130.27 145.12 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.977 0.417 . . . . 0.0 111.078 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 m -131.15 115.46 16.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.6 mt -113.82 132.53 55.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 42.1 m -116.66 147.66 41.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.172 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.544 ' OD2' ' CZ ' ' A' ' 78' ' ' PHE . 3.2 m-20 -139.34 136.62 35.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -101.8 -35.44 9.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.701 ' NE2' ' H ' ' A' ' 76' ' ' LYS . 1.1 pp0? -50.27 -19.96 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 74' ' ' GLN . 67.5 mtm180 37.51 27.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.701 ' H ' ' NE2' ' A' ' 74' ' ' GLN . 27.5 mttt -92.51 -60.93 1.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 77' ' ' LEU . 2.1 mm? -79.64 -49.97 11.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.544 ' CZ ' ' OD2' ' A' ' 72' ' ' ASP . 33.3 p90 -155.77 153.15 29.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -80.98 -70.1 0.56 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -150.93 150.02 30.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.508 ' HB3' ' CE1' ' A' ' 83' ' ' TYR . 3.5 mmm180 -136.37 124.83 23.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -107.12 118.89 37.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.508 ' CE1' ' HB3' ' A' ' 81' ' ' ARG . 4.4 m-85 -110.97 113.69 54.68 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.64 0.733 . . . . 0.0 110.926 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 83' ' ' TYR . 53.5 Cg_endo -69.74 148.24 64.76 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.731 2.288 . . . . 0.0 112.366 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.873 HG23 HD13 ' A' ' 149' ' ' LEU . 9.8 p -51.71 -31.56 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 87' ' ' SER . 6.7 m-20 -67.26 -67.87 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 86' ' ' ASN . 99.0 p -34.89 -56.75 0.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.801 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 13.5 mt -57.91 106.29 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.8 t -114.85 -7.72 12.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.156 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -153.23 137.1 16.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.5 ' O ' ' CG2' ' A' ' 146' ' ' THR . 47.1 t -163.0 120.23 1.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.9 m -172.37 151.73 2.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.861 HG23 HG21 ' A' ' 142' ' ' VAL . 35.7 p -53.45 160.42 1.21 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.171 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.496 ' OD2' ' N ' ' A' ' 98' ' ' ARG . 36.8 p-10 -47.89 117.5 5.48 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.624 0.726 . . . . 0.0 110.852 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.429 ' HG2' ' HB2' ' A' ' 41' ' ' ALA . 54.0 Cg_endo -69.72 -8.44 23.6 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.727 2.284 . . . . 0.0 112.335 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -102.88 21.16 16.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.7 t70 37.29 47.89 0.74 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.496 ' N ' ' OD2' ' A' ' 94' ' ' ASP . 14.4 tpp180 -83.93 160.14 21.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 26.7 mmt85 -131.28 148.49 52.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.417 ' CD2' HD22 ' A' ' 26' ' ' LEU . 74.4 t-105 -111.23 103.65 12.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.4 m -66.28 111.37 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.126 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -68.38 158.99 83.13 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.635 0.731 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 0.72 5.24 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.68 2.253 . . . . 0.0 112.333 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -94.55 -39.26 10.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 128.68 42.44 0.24 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.2 p -145.59 170.7 15.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 111.205 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 77.1 p -114.12 144.08 43.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.107 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.5 m -129.13 169.67 14.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.459 ' HD2' ' HB3' ' A' ' 138' ' ' ALA . 19.9 ttmm -92.81 128.79 38.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 53.6 mt -93.25 136.04 26.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.081 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.503 ' HB3' ' HB1' ' A' ' 138' ' ' ALA . 10.9 p90 -145.55 160.8 41.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -178.25 149.97 9.47 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -112.33 158.54 19.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.916 0.389 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.9 t -104.54 107.49 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -120.58 153.03 37.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.075 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -78.72 150.63 32.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -73.77 137.65 76.83 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.593 0.711 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 0.6 5.4 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -122.27 -24.99 2.1 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.445 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.404 ' HA ' ' HD2' ' A' ' 121' ' ' PRO . 36.5 m -131.51 95.16 24.34 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.654 0.74 . . . . 0.0 110.906 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 120' ' ' SER . 54.1 Cg_endo -69.72 -19.47 36.27 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.665 2.243 . . . . 0.0 112.382 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.41 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 43.9 p90 -90.01 22.24 3.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.41 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 72.1 mt-10 -144.86 163.38 34.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -140.46 141.35 35.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.6 p -147.03 123.63 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 36.3 t -86.09 156.27 20.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -118.61 118.62 32.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.452 ' HG ' HD12 ' A' ' 26' ' ' LEU . 9.8 tp -80.1 145.57 32.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.48 ' HB3' ' CE1' ' A' ' 111' ' ' PHE . 43.4 m-85 -148.98 167.18 26.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.617 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -143.29 135.25 26.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.424 ' HB3' ' N ' ' A' ' 138' ' ' ALA . 0.1 OUTLIER -52.09 109.01 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.9 tt -75.25 -49.51 19.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -92.71 145.28 30.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.628 0.728 . . . . 0.0 110.886 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -45.37 1.58 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.704 2.269 . . . . 0.0 112.295 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.72 -35.51 79.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -107.12 84.38 1.64 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.625 0.726 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 170.13 17.27 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.65 2.233 . . . . 0.0 112.374 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.681 ' HA ' HD12 ' A' ' 141' ' ' ILE . . . -60.15 -43.1 96.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -54.03 -54.4 31.62 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -49.16 -29.17 5.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.681 HD12 ' HA ' ' A' ' 138' ' ' ALA . 47.9 mt -74.61 -72.38 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.861 HG21 HG23 ' A' ' 93' ' ' THR . 20.6 m -45.74 -45.88 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.476 ' N ' HG23 ' A' ' 142' ' ' VAL . 66.7 m -48.46 -60.89 2.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -51.27 -41.97 60.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 80.5 mt -58.97 -74.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.158 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 91' ' ' SER . 30.6 p -47.89 -35.44 10.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.447 ' CE ' HD11 ' A' ' 14' ' ' LEU . 5.6 mtpp -52.08 -50.28 61.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.639 HG13 ' N ' ' A' ' 149' ' ' LEU . 8.8 p -96.95 -53.65 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.083 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.873 HD13 HG23 ' A' ' 85' ' ' VAL . 4.0 mm? -51.9 -62.71 1.46 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 146' ' ' THR . 3.5 mm? -73.88 -30.55 62.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -89.51 79.28 1.57 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.466 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -98.81 124.02 43.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 21.3 mtm180 -108.54 -35.59 6.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 12.7 pttp -73.67 162.82 28.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 14.8 t -49.92 122.68 6.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -158.21 -157.82 8.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.469 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 158' ' ' SER . 53.8 Cg_endo -69.76 2.37 3.59 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.368 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 157' ' ' PRO . 16.4 m -34.8 131.61 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 8.7 t -117.05 135.1 53.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.46 179.979 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -68.19 119.82 13.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.909 0.385 . . . . 0.0 110.829 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.2 p -171.0 127.14 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.12 159.94 32.82 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.6 m -143.76 166.29 25.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 0.0 110.873 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -147.88 143.61 27.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.856 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.36 -134.78 3.35 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.448 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.1 mmt -77.87 172.5 13.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.764 0.316 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.6 p -102.21 85.65 2.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.9 m -91.94 -29.68 16.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.119 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.4 -26.38 63.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.113 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.51 -29.86 41.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.069 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -74.72 -25.27 59.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.7 mt -64.44 -47.31 79.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.739 HD23 ' HB2' ' A' ' 65' ' ' ALA . 7.1 mp -54.87 -45.71 74.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -48.6 -30.89 5.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -85.66 -55.63 3.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.38 144.97 2.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.468 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.38 124.97 33.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.777 0.322 . . . . 0.0 111.129 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.59 141.61 27.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.433 ' HB3' ' NE2' ' A' ' 136' ' ' GLN . 24.8 p -166.1 166.72 16.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.9 m -81.05 138.54 35.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.9 m -128.12 176.8 6.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.509 ' C ' HD13 ' A' ' 24' ' ' LEU . 3.4 tm? -107.04 116.11 31.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -82.3 108.72 15.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.55 HD21 ' CD1' ' A' ' 100' ' ' TRP . 66.8 mt -76.78 -71.47 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.7 t -173.52 162.68 4.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.9 p -125.7 136.63 53.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.5 t -121.87 146.81 26.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -71.47 116.49 11.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.522 HG21 ' HB1' ' A' ' 39' ' ' ALA . 18.5 p -117.29 37.36 3.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -40.11 -50.31 2.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.3 t -85.01 -49.32 8.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -58.75 137.5 57.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.937 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 79.4 p -147.42 173.44 12.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.54 -157.84 36.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 2.5 3.49 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.616 2.211 . . . . 0.0 112.367 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -84.11 -42.51 15.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.522 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -59.27 -42.79 92.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.0 t -54.52 -42.62 60.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.091 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.66 -36.3 83.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -57.94 -61.16 2.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -39.39 -63.05 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.3 m -47.49 -46.16 26.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.4 t -59.59 -34.18 72.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.71 -11.37 45.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.089 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.4 -30.81 23.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.072 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.9 mt -94.97 -27.48 15.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.0 t -79.42 -48.34 14.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 42.0 t -58.31 138.21 56.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.539 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 15.6 p -139.97 152.11 66.94 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.697 0.76 . . . . 0.0 110.842 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.5 Cg_endo -69.75 169.98 60.63 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.337 -0.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -46.29 145.11 2.85 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.578 0.704 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 159.43 53.48 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.689 2.259 . . . . 0.0 112.36 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.416 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 50.2 m -105.7 93.31 7.15 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.569 0.699 . . . . 0.0 111.104 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.465 ' HB2' HD11 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.8 159.46 53.28 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.692 2.261 . . . . 0.0 112.325 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -141.46 156.54 45.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.2 t -85.34 123.87 39.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.9 m -134.22 177.37 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.15 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -97.69 160.11 14.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -148.74 117.32 6.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 41.5 tttm -125.28 144.23 50.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.536 HG11 ' HD2' ' A' ' 144' ' ' PHE . 21.7 t -121.85 116.86 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 t -138.45 157.69 45.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.815 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.739 ' HB2' HD23 ' A' ' 15' ' ' LEU . . . -50.29 -21.07 1.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.095 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -89.18 19.57 4.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.923 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.56 ' HA2' HD11 ' A' ' 149' ' ' LEU . . . 97.07 -150.73 19.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.478 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 87.4 mt -109.0 143.07 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.949 0.404 . . . . 0.0 111.092 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.5 m -131.51 111.5 11.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.126 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.43 HD12 ' HE2' ' A' ' 83' ' ' TYR . 13.8 mt -99.99 152.5 20.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 22.6 m -140.53 122.35 15.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.162 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -105.4 146.92 28.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -116.88 -41.03 3.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -71.43 -16.45 62.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 33.0 mtt180 47.08 45.36 15.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -76.69 -35.23 58.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 mt -128.42 -50.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -140.66 140.27 34.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.43 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 1.8 t80 -75.65 -57.09 4.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -140.08 163.44 32.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -159.71 123.2 3.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -102.88 124.21 47.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.461 ' OH ' ' CE1' ' A' ' 127' ' ' HIS . 45.9 m-85 -121.23 95.7 48.47 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.701 0.763 . . . . 0.0 110.917 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 85' ' ' VAL . 53.4 Cg_endo -69.82 136.19 32.22 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.655 2.237 . . . . 0.0 112.311 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.657 HG23 HD13 ' A' ' 149' ' ' LEU . 9.7 p -33.89 -44.58 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.492 ' N ' HG13 ' A' ' 85' ' ' VAL . 76.4 m-20 -52.94 -55.89 20.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.5 m -50.01 -42.99 50.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.8 mt -80.57 124.9 38.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 62.2 p -116.85 -33.44 4.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.123 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -137.1 150.86 48.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.2 t -170.12 113.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.3 m -165.95 147.32 6.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.706 HG23 HG21 ' A' ' 142' ' ' VAL . 2.6 p -45.82 143.39 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.432 ' CG ' ' HD2' ' A' ' 95' ' ' PRO . 2.0 t70 -46.95 140.94 5.98 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.569 0.699 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.432 ' HD2' ' CG ' ' A' ' 94' ' ' ASP . 53.4 Cg_endo -69.77 -31.38 20.59 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.725 2.284 . . . . 0.0 112.324 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -76.17 -5.78 48.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 39.7 41.93 0.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -77.87 -178.38 5.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 78.5 mmt-85 -123.6 166.58 15.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.55 ' CD1' HD21 ' A' ' 26' ' ' LEU . 49.9 t-105 -126.5 110.43 13.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.0 m -75.55 91.23 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -49.18 154.38 1.42 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.608 0.718 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 0.63 5.39 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.641 2.228 . . . . 0.0 112.318 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -95.57 -36.05 11.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 125.73 54.91 0.16 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 11.6 t -162.9 156.81 20.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.843 0.354 . . . . 0.0 111.138 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 27.4 p -99.76 155.5 17.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 46.5 m -152.77 152.22 31.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -69.46 147.98 50.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 82.6 mt -108.07 131.9 57.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.134 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.463 ' O ' ' N ' ' A' ' 129' ' ' PHE . 6.8 p90 -151.08 158.97 44.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -169.4 -176.1 39.07 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.511 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.534 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 0.6 OUTLIER -143.47 168.7 19.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.913 0.387 . . . . 0.0 110.841 -179.868 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.4 t -121.53 123.52 69.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.106 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -134.82 161.14 36.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.086 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -80.4 140.25 36.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.472 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 7.7 ttmm -47.34 140.53 7.17 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.58 0.705 . . . . 0.0 110.905 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 53.6 Cg_endo -69.79 1.47 4.42 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.688 2.259 . . . . 0.0 112.351 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -137.41 3.63 3.3 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.434 ' HA ' ' HD2' ' A' ' 121' ' ' PRO . 43.0 m -158.25 105.0 1.69 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.628 0.728 . . . . 0.0 110.911 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 120' ' ' SER . 53.7 Cg_endo -69.76 -7.41 20.99 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.688 2.259 . . . . 0.0 112.363 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.449 ' CD1' ' HG3' ' A' ' 123' ' ' GLU . 19.7 p90 -96.14 2.75 53.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.449 ' HG3' ' CD1' ' A' ' 122' ' ' TRP . 42.8 mt-10 -121.69 163.09 19.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -139.8 136.93 34.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 2.0 t -135.3 109.26 10.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 52.0 t -82.27 135.81 35.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.461 ' CE1' ' OH ' ' A' ' 83' ' ' TYR . 7.0 m-70 -112.26 112.46 24.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.2 tp -75.1 157.56 34.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' A' ' 111' ' ' PHE . 19.6 m-85 -152.67 172.35 16.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.463 ' HB3' HD12 ' A' ' 24' ' ' LEU . . . -144.46 157.54 44.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.142 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.449 ' HG2' ' N ' ' A' ' 138' ' ' ALA . 87.8 mt-10 -70.79 120.45 16.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 10.4 tt -97.39 -45.7 6.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.913 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.82 144.17 29.76 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.574 0.702 . . . . 0.0 110.86 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -49.85 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.641 2.227 . . . . 0.0 112.383 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -52.0 -42.55 63.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.433 ' NE2' ' HB3' ' A' ' 21' ' ' CYS . 31.5 mt-30 -114.38 80.48 5.98 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.572 0.701 . . . . 0.0 110.91 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -172.13 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.751 2.301 . . . . 0.0 112.33 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.449 ' N ' ' HG2' ' A' ' 131' ' ' GLU . . . -74.53 -45.96 42.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -46.35 -47.82 16.33 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.57 -28.01 65.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 0.0 111.131 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 74.9 mt -77.4 -73.14 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.706 HG21 HG23 ' A' ' 93' ' ' THR . 6.4 m -45.74 -48.47 4.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.435 ' N ' HG23 ' A' ' 142' ' ' VAL . 75.2 m -47.9 -63.51 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' PHE . . . . . 0.536 ' HD2' HG11 ' A' ' 63' ' ' VAL . 57.8 t80 -48.76 -42.27 34.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.482 HG23 ' HG ' ' A' ' 149' ' ' LEU . 96.0 mt -59.54 -59.92 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 45.2 p -58.41 -15.32 10.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.16 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 8.5 mtpt -85.81 -42.98 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 28.8 t -92.91 -68.12 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.146 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.657 HD13 HG23 ' A' ' 85' ' ' VAL . 3.7 mm? -39.99 -70.37 0.11 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 4.7 mt -59.08 -44.66 91.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 100.3 24.53 9.49 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.521 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -71.99 165.18 24.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.74 117.39 9.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -127.58 104.31 7.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 50.7 p -60.17 132.9 55.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 178.88 79.29 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.487 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 163.59 37.69 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.69 2.26 . . . . 0.0 112.333 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.4 t -164.34 148.11 9.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 5.0 m -43.88 -53.15 6.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.457 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 m -122.34 -49.69 2.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.878 0.371 . . . . 0.0 110.884 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 t -78.33 91.75 4.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.38 -134.94 18.92 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.524 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -154.63 160.79 41.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.896 0.379 . . . . 0.0 110.843 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.0 m -139.31 132.1 29.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.92 136.56 3.64 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.517 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.61 94.87 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.352 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 10' ' ' THR . 98.6 p -67.84 -47.63 68.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 9' ' ' SER . 41.4 p 34.64 43.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.126 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.43 -21.42 59.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -42.02 -61.57 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.19 -49.37 77.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.94 -43.93 19.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.866 HD21 ' HB2' ' A' ' 65' ' ' ALA . 73.1 mt -67.29 -44.99 77.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.947 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.7 mtt85 -55.88 -19.89 13.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -84.54 -63.16 1.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.05 133.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.66 123.66 33.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 0.0 111.051 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.57 120.28 11.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.467 ' HB2' ' NE2' ' A' ' 136' ' ' GLN . 2.0 t -154.74 178.8 9.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.8 p -93.92 129.41 40.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.1 m -115.54 173.5 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.162 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.626 ' C ' HD13 ' A' ' 24' ' ' LEU . 2.3 tm? -104.51 110.85 23.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.411 ' N ' HD13 ' A' ' 24' ' ' LEU . 20.7 t80 -80.35 100.72 8.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.634 HD22 ' CD2' ' A' ' 100' ' ' TRP . 96.3 mt -69.03 -72.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 28' ' ' SER . 5.9 t -162.52 -176.0 4.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.436 ' N ' ' OG1' ' A' ' 27' ' ' THR . 61.9 p -140.22 119.87 13.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.2 t -113.96 139.51 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.145 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -75.66 119.95 20.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.584 HG21 ' HB1' ' A' ' 39' ' ' ALA . 42.1 p -114.03 42.07 2.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.129 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -42.3 -45.92 4.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -94.0 -43.1 8.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -62.36 136.16 57.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.945 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.432 HG22 ' ND2' ' A' ' 124' ' ' ASN . 33.4 p -142.81 177.39 8.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 55.4 -150.36 20.99 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.528 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.528 ' HD3' ' CE2' ' A' ' 90' ' ' PHE . 53.9 Cg_endo -69.76 -20.96 34.16 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.668 2.245 . . . . 0.0 112.363 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -63.3 -36.33 83.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.584 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -66.6 -39.08 88.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.3 t -60.74 -48.39 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.087 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.27 -33.36 74.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.131 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.5 ttt85 -57.75 -62.69 1.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.84 -35.06 30.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.07 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.1 m -65.18 -36.2 83.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.4 t -71.47 -63.49 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -38.11 -35.46 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.117 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.404 ' C ' HD13 ' A' ' 48' ' ' LEU . . . -45.8 -50.78 13.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.82 HD22 ' H ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -99.72 -33.26 10.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.1 t -63.8 -50.3 69.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.414 ' O ' ' O ' ' A' ' 51' ' ' SER . 1.4 m -84.09 24.69 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.505 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 0.4 OUTLIER -38.98 160.59 0.09 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.675 0.75 . . . . 0.0 110.856 -179.725 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 51' ' ' SER . 54.1 Cg_endo -69.75 153.36 92.92 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.354 -0.045 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.41 ' C ' ' HD2' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -55.96 142.28 65.28 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.646 0.736 . . . . 0.0 110.851 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 166.05 28.82 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 94.5 m -93.73 110.46 47.52 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.596 0.712 . . . . 0.0 111.14 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.485 ' CB ' HD11 ' A' ' 24' ' ' LEU . 53.9 Cg_endo -69.76 172.69 12.17 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.656 2.238 . . . . 0.0 112.36 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.76 154.32 29.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.07 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.455 HG13 ' CD1' ' A' ' 132' ' ' LEU . 57.5 t -89.93 119.78 37.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.3 m -131.24 159.61 42.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -74.03 151.35 40.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -133.88 142.02 47.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.793 ' O ' HG23 ' A' ' 68' ' ' ILE . 7.8 tptm -147.81 141.5 25.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 99.1 t -130.83 107.59 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.9 t -131.66 167.46 19.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.866 ' HB2' HD21 ' A' ' 15' ' ' LEU . . . -55.18 -22.04 15.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.07 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -90.21 19.45 5.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.93 -154.75 19.6 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.475 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.793 HG23 ' O ' ' A' ' 62' ' ' LYS . 70.6 mt -113.23 135.19 53.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.937 0.399 . . . . 0.0 111.075 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 62.3 m -114.34 137.84 51.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.109 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.2 mt -130.08 128.11 41.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.426 ' HA ' ' CB ' ' A' ' 80' ' ' ARG . 99.3 m -114.83 108.79 17.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.509 ' OD1' ' CZ ' ' A' ' 78' ' ' PHE . 0.6 OUTLIER -87.3 140.76 29.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -113.48 -50.41 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -56.07 -23.81 36.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.4 mtp180 43.12 34.21 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -93.02 -39.3 11.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.4 mt -102.39 -36.03 8.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.509 ' CZ ' ' OD1' ' A' ' 72' ' ' ASP . 1.3 p90 -174.92 172.07 2.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -108.35 167.56 9.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.426 ' CB ' ' HA ' ' A' ' 71' ' ' THR . 6.7 ptm180 -38.74 138.3 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 18.1 mmm-85 -133.25 128.66 36.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -101.08 115.78 31.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -107.15 121.05 45.89 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.699 0.761 . . . . 0.0 110.911 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 135.26 29.94 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.3 p -41.78 -39.81 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -52.3 -48.25 65.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.56 ' OG ' ' HB1' ' A' ' 115' ' ' ALA . 39.6 t -52.63 -57.84 8.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.8 mt -66.52 105.92 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.115 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.519 ' O ' HD13 ' A' ' 150' ' ' LEU . 74.0 p -111.39 -41.67 4.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.528 ' CE2' ' HD3' ' A' ' 37' ' ' PRO . 18.6 t80 -121.73 132.74 54.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.496 ' O ' ' CG2' ' A' ' 146' ' ' THR . 3.7 t -150.76 136.59 18.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.1 t -175.15 144.42 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.513 HG22 ' CB ' ' A' ' 111' ' ' PHE . 0.9 OUTLIER -52.37 168.18 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -60.75 123.3 73.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.592 0.711 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -31.82 19.86 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.713 2.276 . . . . 0.0 112.316 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -69.83 -1.77 10.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 42.68 35.19 0.65 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -86.33 171.3 11.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 8.2 mmt85 -117.63 155.13 30.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.634 ' CD2' HD22 ' A' ' 26' ' ' LEU . 53.1 t-105 -112.62 112.35 23.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 31.8 m -77.16 90.89 3.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -44.71 159.55 0.25 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -5.5 16.37 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.681 2.254 . . . . 0.0 112.321 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -91.72 -34.99 14.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 124.73 55.66 0.18 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.457 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.0 t -163.16 149.01 11.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.346 . . . . 0.0 111.172 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.1 p -88.66 154.4 20.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 90.4 p -149.04 151.99 35.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -69.25 131.54 45.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.481 HG23 ' CD1' ' A' ' 26' ' ' LEU . 13.6 mt -94.73 129.09 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.513 ' CB ' HG22 ' A' ' 93' ' ' THR . 9.3 p90 -150.66 166.54 30.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 177.02 -175.79 47.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.51 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -140.72 173.07 11.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.372 . . . . 0.0 110.875 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.3 t -118.39 117.04 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.56 ' HB1' ' OG ' ' A' ' 87' ' ' SER . . . -127.14 144.93 50.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -85.66 143.71 28.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 19.4 mttp -56.74 146.25 58.17 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.602 0.715 . . . . 0.0 110.912 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -29.6 23.68 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.713 2.275 . . . . 0.0 112.342 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -104.63 -11.88 29.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.488 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.425 ' HB3' ' NE1' ' A' ' 122' ' ' TRP . 37.8 m -130.14 78.91 73.86 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.702 0.763 . . . . 0.0 110.879 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -3.09 11.32 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.681 2.254 . . . . 0.0 112.369 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.425 ' NE1' ' HB3' ' A' ' 120' ' ' SER . 5.4 p90 -87.52 -26.97 22.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -115.56 149.68 37.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.432 ' ND2' HG22 ' A' ' 35' ' ' THR . 0.6 OUTLIER -110.64 151.95 27.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 5.2 t -133.95 121.99 40.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 43.2 t -98.95 138.05 36.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -110.9 128.67 55.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.532 ' HG ' HD12 ' A' ' 26' ' ' LEU . 9.1 tp -89.52 135.47 33.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -138.5 171.4 14.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.443 ' HB2' HD11 ' A' ' 26' ' ' LEU . . . -147.75 155.87 42.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.515 ' HG3' ' HB2' ' A' ' 138' ' ' ALA . 64.7 mt-10 -62.91 126.46 27.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.472 HD23 ' C ' ' A' ' 132' ' ' LEU . 9.7 tt -108.3 -47.8 3.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.434 ' CG ' ' HD2' ' A' ' 134' ' ' PRO . 9.7 t70 -114.98 139.91 24.88 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.6 0.714 . . . . 0.0 110.902 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.434 ' HD2' ' CG ' ' A' ' 133' ' ' ASP . 53.1 Cg_endo -69.79 -32.81 17.73 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.325 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -50.96 -36.82 40.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.467 ' NE2' ' HB2' ' A' ' 21' ' ' CYS . 26.0 mt-30 -127.91 96.27 32.42 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.602 0.715 . . . . 0.0 110.911 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 136' ' ' GLN . 53.6 Cg_endo -69.82 149.74 66.9 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.515 ' HB2' ' HG3' ' A' ' 131' ' ' GLU . . . -53.22 -32.82 50.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -62.25 -42.76 99.71 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.478 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.82 -31.0 71.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.742 0.306 . . . . 0.0 111.069 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 80.0 mt -71.61 -72.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.523 HG23 ' H ' ' A' ' 143' ' ' THR . 4.5 m -40.59 -53.51 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.523 ' H ' HG23 ' A' ' 142' ' ' VAL . 92.5 m -50.67 -70.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 143' ' ' THR . 14.0 t80 -37.67 -42.21 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.623 HG23 ' CB ' ' A' ' 149' ' ' LEU . 72.9 mt -65.98 -65.6 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 91' ' ' SER . 4.5 p -52.11 -14.25 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -83.02 -61.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.627 HG13 ' N ' ' A' ' 149' ' ' LEU . 13.6 p -97.21 -53.02 8.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.627 ' N ' HG13 ' A' ' 148' ' ' VAL . 1.8 mm? -52.44 -21.87 4.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.519 HD13 ' O ' ' A' ' 89' ' ' THR . 9.1 tp -115.97 -48.83 2.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 41.25 71.1 0.35 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -108.46 -58.41 2.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.816 0.341 . . . . 0.0 110.918 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . 0.419 ' HD2' ' C ' ' A' ' 153' ' ' ARG . 0.3 OUTLIER -96.57 168.16 10.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 28.7 tttm -77.38 119.83 21.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 25.6 t -67.81 -54.12 21.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 82.83 74.59 1.19 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.538 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 121.53 8.23 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.691 2.261 . . . . 0.0 112.364 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 25.4 t -78.14 -61.27 2.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 6.4 t -72.53 149.94 43.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.9 m -55.03 -56.05 24.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.868 0.366 . . . . 0.0 110.882 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.8 m -61.57 115.53 4.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.7 155.96 17.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.511 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -168.57 121.86 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.359 . . . . 0.0 110.883 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -100.51 148.54 24.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.23 110.0 3.31 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.507 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.79 161.32 10.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.324 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.0 m -147.44 114.91 6.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.8 p -61.87 119.17 8.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.179 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.33 -45.44 66.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.14 -33.18 25.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.119 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -73.61 -41.5 62.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 15' ' ' LEU . 7.9 mt -52.76 -63.49 1.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.511 HD21 HG21 ' A' ' 148' ' ' VAL . 37.5 mt -35.99 -53.82 0.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -42.38 -44.86 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -62.09 -50.73 70.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.01 114.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.57 119.63 39.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.781 0.324 . . . . 0.0 111.057 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.834 ' HB2' ' HG2' ' A' ' 62' ' ' LYS . . . -141.18 128.56 21.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 t -162.43 169.09 21.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.1 m -90.91 122.32 33.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.824 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.4 m -108.2 -174.8 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.13 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.713 HD11 ' HB2' ' A' ' 56' ' ' PRO . 2.3 tm? -107.5 113.28 26.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.483 ' N ' HD13 ' A' ' 24' ' ' LEU . 48.9 t80 -80.15 103.66 10.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.576 HD12 ' HG ' ' A' ' 128' ' ' LEU . 71.4 mt -73.09 -69.13 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.9 t -172.79 171.09 4.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.5 t -127.42 135.08 49.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.783 HG21 ' HA ' ' A' ' 43' ' ' ALA . 55.9 t -119.66 143.28 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.152 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -77.79 116.51 18.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.622 HG21 ' HB1' ' A' ' 39' ' ' ALA . 72.5 p -116.86 44.3 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.135 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -43.1 -42.53 4.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 t -99.79 -34.3 10.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.409 ' O ' HG23 ' A' ' 35' ' ' THR . 2.2 mm? -71.48 135.42 47.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 34' ' ' LEU . 40.4 p -156.59 141.38 17.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.27 -151.67 18.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -16.7 37.66 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.691 2.261 . . . . 0.0 112.391 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -78.49 -45.0 23.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.622 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -54.92 -42.01 71.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.8 t -61.17 -44.7 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.33 -53.41 57.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.081 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -42.12 -65.0 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.783 ' HA ' HG21 ' A' ' 29' ' ' VAL . . . -39.9 -48.89 2.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.087 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.435 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 61.2 m -60.81 -57.31 13.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.836 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.7 t -43.79 -49.2 8.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.47 -29.39 68.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.134 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 44' ' ' SER . . . -59.61 -45.32 92.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.551 ' N ' HD12 ' A' ' 48' ' ' LEU . 5.7 mp -85.1 -36.9 20.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.7 t -64.32 -53.24 51.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.6 p -55.4 147.9 16.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.527 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 20.7 p -150.79 153.79 34.02 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.669 0.747 . . . . 0.0 110.905 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 51' ' ' SER . 54.1 Cg_endo -69.76 166.71 73.34 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.391 -0.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -43.55 138.52 2.88 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.572 0.701 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 159.97 51.42 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.621 2.214 . . . . 0.0 112.312 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.4 m -104.21 94.18 6.48 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.521 0.677 . . . . 0.0 111.128 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.713 ' HB2' HD11 ' A' ' 24' ' ' LEU . 53.9 Cg_endo -69.76 156.36 63.53 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -137.39 156.03 48.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.0 m -86.89 138.68 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.3 m -143.8 172.77 6.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.574 ' CE1' ' HB2' ' A' ' 62' ' ' LYS . 39.8 t-80 -86.27 132.77 33.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.548 ' CE1' HG23 ' A' ' 141' ' ' ILE . 11.0 t80 -118.81 123.57 45.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.834 ' HG2' ' HB2' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -148.43 147.98 29.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.5 t -125.66 121.03 59.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.165 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.5 p -135.64 169.13 18.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.55 -18.87 21.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.099 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 14.0 mt-30 -83.67 -15.44 48.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 127.63 -143.57 14.46 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.533 HG12 HD11 ' A' ' 88' ' ' ILE . 16.7 mm -103.64 136.58 35.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 111.134 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.8 m -119.31 130.14 55.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 24.5 mt -128.83 145.37 51.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.419 HG22 ' N ' ' A' ' 72' ' ' ASP . 78.2 m -138.34 154.77 48.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.419 ' N ' HG22 ' A' ' 71' ' ' THR . 8.3 t70 -135.8 150.65 49.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -115.4 -49.38 2.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -65.35 -7.57 14.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 39.23 43.41 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -77.69 -54.69 6.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.5 mt -101.29 -50.89 3.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -145.78 158.51 43.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -86.84 -55.81 3.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.1 ptt-85 -158.77 151.8 22.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.946 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.43 ' NE ' ' HA ' ' A' ' 81' ' ' ARG . 4.6 mmp_? -149.35 123.59 9.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -119.51 130.36 55.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -119.93 143.35 35.07 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.683 0.754 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.406 ' HA ' ' O ' ' A' ' 66' ' ' GLN . 53.4 Cg_endo -69.78 171.56 14.28 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.7 2.266 . . . . 0.0 112.332 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.67 HG23 ' CD1' ' A' ' 149' ' ' LEU . 11.0 p -73.61 -24.34 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 87' ' ' SER . 35.2 t-20 -72.25 -52.8 14.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 86' ' ' ASN . 91.1 p -37.13 -49.19 0.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.533 HD11 HG12 ' A' ' 68' ' ' ILE . 12.1 mt -68.41 109.62 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.158 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.425 ' O ' HD21 ' A' ' 150' ' ' LEU . 38.6 p -105.98 -31.76 8.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.431 ' CG ' ' N ' ' A' ' 91' ' ' SER . 62.5 t80 -135.76 169.01 18.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.431 ' N ' ' CG ' ' A' ' 90' ' ' PHE . 1.2 m -175.24 129.81 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.8 t -175.94 144.63 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.716 HG23 HG21 ' A' ' 142' ' ' VAL . 10.6 p -57.37 167.19 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.099 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -58.94 128.27 84.5 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.613 0.72 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.417 ' HG2' ' NE2' ' A' ' 96' ' ' GLN . 53.8 Cg_endo -69.7 -47.09 1.02 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.727 2.285 . . . . 0.0 112.355 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.417 ' NE2' ' HG2' ' A' ' 95' ' ' PRO . 15.4 mp0 -54.9 -25.29 28.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.0 t70 62.37 32.25 16.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -82.41 159.7 22.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -104.2 139.62 38.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.574 ' CD1' HD21 ' A' ' 26' ' ' LEU . 68.7 t-105 -101.43 114.92 29.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.5 m -76.15 93.97 3.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.112 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -58.12 157.53 16.26 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.615 0.721 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -3.49 12.11 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.658 2.239 . . . . 0.0 112.395 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -94.75 8.83 41.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.59 51.28 9.74 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 34.9 p -155.15 152.41 29.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 111.127 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 53.7 p -100.67 154.66 18.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.144 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 72.7 m -155.26 166.81 32.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -84.68 150.71 24.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 61.5 mt -101.59 143.99 13.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.165 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.766 ' HB3' ' HB1' ' A' ' 138' ' ' ALA . 3.1 p90 -159.21 152.69 22.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -163.05 170.4 38.52 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.513 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.535 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -129.36 167.63 17.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.905 0.383 . . . . 0.0 110.861 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.7 t -124.16 103.43 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.51 161.87 21.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -77.3 151.7 34.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -63.24 148.45 93.13 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.635 0.731 . . . . 0.0 110.891 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -22.61 31.99 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.702 2.268 . . . . 0.0 112.372 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -107.59 -32.63 3.33 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.8 m -117.66 108.6 42.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.621 0.724 . . . . 0.0 110.859 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -2.78 10.75 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.732 2.288 . . . . 0.0 112.329 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 35.2 p90 -113.42 1.27 15.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -112.74 108.05 16.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -90.45 141.06 29.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 94.3 t -137.07 118.53 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.748 ' SG ' ' HB2' ' A' ' 43' ' ' ALA . 14.2 p -84.63 123.17 30.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.435 ' HB2' ' CE1' ' A' ' 113' ' ' PHE . 86.8 m-70 -96.74 110.0 22.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.576 ' HG ' HD12 ' A' ' 26' ' ' LEU . 11.4 tp -75.95 148.5 38.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.411 ' HB3' ' CE1' ' A' ' 111' ' ' PHE . 43.9 m-85 -153.96 169.58 23.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.504 ' HB2' HD11 ' A' ' 26' ' ' LEU . . . -145.01 122.81 11.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -42.59 105.98 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.494 HD23 ' C ' ' A' ' 132' ' ' LEU . 9.0 tt -72.99 -52.46 14.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -84.56 135.38 40.89 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.611 0.72 . . . . 0.0 110.891 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -37.29 9.39 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.644 2.229 . . . . 0.0 112.366 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -58.63 -36.49 74.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.441 ' HA ' ' HD2' ' A' ' 137' ' ' PRO . 28.1 mm-40 -115.98 102.7 53.86 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.635 0.731 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 136' ' ' GLN . 53.5 Cg_endo -69.81 176.54 6.67 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.366 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.766 ' HB1' ' HB3' ' A' ' 111' ' ' PHE . . . -62.96 -45.91 90.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -50.2 -54.67 18.53 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -43.4 -29.47 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.721 0.296 . . . . 0.0 111.067 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.548 HG23 ' CE1' ' A' ' 61' ' ' PHE . 55.7 mt -76.31 -71.72 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.716 HG21 HG23 ' A' ' 93' ' ' THR . 17.4 m -46.58 -53.92 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.587 ' N ' HG23 ' A' ' 142' ' ' VAL . 98.2 m -41.87 -51.44 4.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.123 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' PHE . . . . . 0.409 ' O ' HG12 ' A' ' 148' ' ' VAL . 70.7 t80 -59.73 -30.26 68.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.642 HD12 ' HA ' ' A' ' 142' ' ' VAL . 71.0 mt -73.44 -73.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.428 ' HA ' HD12 ' A' ' 150' ' ' LEU . 5.5 p -47.02 -23.41 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.186 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 143' ' ' THR . 10.6 mmtp -67.54 -57.25 6.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.687 HG13 HD22 ' A' ' 149' ' ' LEU . 9.7 p -88.17 -49.04 14.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.687 HD22 HG13 ' A' ' 148' ' ' VAL . 4.5 mm? -58.04 -62.57 1.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 146' ' ' THR . 10.4 mt -83.76 31.9 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -164.83 115.36 0.64 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.5 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 -111.8 99.24 7.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.76 0.314 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -125.92 93.75 3.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.64 153.26 16.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 6.5 t -143.46 108.51 4.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -145.17 164.78 27.9 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.442 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 138.18 37.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.33 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 13.5 t -123.08 138.79 54.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 43.4 p -61.79 161.37 10.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.46 179.981 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 m -133.22 154.28 50.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.851 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.7 m -149.58 150.2 31.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.99 88.52 1.42 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.532 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -58.91 -60.01 4.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.908 0.385 . . . . 0.0 110.844 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t -68.97 -61.76 1.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.833 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.05 -95.78 0.82 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.7 ptm -165.21 169.4 16.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.1 t -172.39 -178.03 1.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.592 ' O ' HD22 ' A' ' 14' ' ' LEU . 1.6 t -82.51 78.49 9.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.148 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.759 ' HA ' HD23 ' A' ' 14' ' ' LEU . . . -37.2 -37.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.078 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.472 ' HA ' HD23 ' A' ' 15' ' ' LEU . . . -44.38 -46.4 9.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 16' ' ' ARG . 4.4 m-20 -73.48 -69.38 0.43 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.759 HD23 ' HA ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -34.76 -47.59 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.755 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -51.83 -45.39 63.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.904 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 13' ' ' ASP . 1.1 ptp180 -76.64 -23.55 53.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 35.3 tp60 -65.45 -28.4 69.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.2 130.44 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.499 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.64 119.19 23.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.784 0.326 . . . . 0.0 111.087 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.524 ' HB2' ' NZ ' ' A' ' 62' ' ' LYS . . . -143.42 126.8 16.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.9 p -159.78 160.24 33.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 t -81.34 128.05 33.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.8 m -115.94 -175.52 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.141 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.767 ' C ' HD13 ' A' ' 24' ' ' LEU . 2.2 tm? -119.63 117.34 28.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.517 ' N ' HD13 ' A' ' 24' ' ' LEU . 48.6 t80 -85.46 99.02 10.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.946 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.505 HD11 ' HB2' ' A' ' 130' ' ' ALA . 55.7 mt -61.69 -69.25 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.3 t -170.93 160.0 6.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.0 p -119.46 122.6 42.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.622 ' O ' HG23 ' A' ' 31' ' ' THR . 55.8 t -113.69 111.39 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.159 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -47.12 116.29 1.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.622 HG23 ' O ' ' A' ' 29' ' ' VAL . 71.5 p -112.91 38.13 2.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.093 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 31' ' ' THR . 1.3 pp20? -34.47 -53.3 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.429 ' N ' ' CD ' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -86.44 -45.96 10.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 -179.787 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 31' ' ' THR . 2.3 mm? -61.9 135.57 57.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.7 t -155.23 164.71 38.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.29 -155.59 40.27 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -8.86 24.67 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.686 2.257 . . . . 0.0 112.319 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.1 tp60 -83.65 -48.75 9.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -47.73 -40.9 21.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.499 HG22 ' SG ' ' A' ' 126' ' ' CYS . 48.3 t -65.2 -36.58 78.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.85 -31.93 71.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.6 ttt85 -62.36 -58.67 6.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.76 -48.74 5.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.057 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.7 m -63.97 -45.93 86.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.8 m -52.15 -45.5 65.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.84 -34.36 62.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.31 -30.93 71.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.8 mt -93.4 -38.99 11.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.4 t -67.08 -53.2 33.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -54.92 151.4 8.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.531 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 21.0 p -157.45 153.84 24.13 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.672 0.749 . . . . 0.0 110.832 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.7 Cg_endo -69.78 175.87 34.93 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.356 -0.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.1 mtm-85 -47.07 138.46 7.57 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.628 0.727 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 176.29 6.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.661 2.241 . . . . 0.0 112.331 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.1 m -114.48 96.59 43.85 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.567 0.698 . . . . 0.0 111.16 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.502 ' HB2' HD11 ' A' ' 24' ' ' LEU . 53.7 Cg_endo -69.73 153.28 69.26 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.736 2.291 . . . . 0.0 112.319 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -124.73 136.32 53.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.462 HG23 ' CD1' ' A' ' 132' ' ' LEU . 2.4 p -86.59 121.05 37.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.133 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.6 m -132.51 -178.29 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.443 ' CG ' ' N ' ' A' ' 61' ' ' PHE . 40.0 t-80 -94.85 163.15 13.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.443 ' N ' ' CG ' ' A' ' 60' ' ' HIS . 8.1 t80 -141.93 133.45 26.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.524 ' NZ ' ' HB2' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -132.56 135.63 46.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.477 HG11 ' CD2' ' A' ' 144' ' ' PHE . 75.7 t -119.08 109.73 27.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 96.2 p -139.54 161.54 37.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.89 -43.16 69.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.068 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 -60.17 -13.27 11.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.16 -155.23 20.93 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 87.2 mt -113.33 148.9 15.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.879 0.371 . . . . 0.0 111.191 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 90.6 m -131.22 138.46 49.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.5 mt -127.15 124.84 40.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.965 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 62.2 m -118.72 138.11 52.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -121.82 146.94 46.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -104.93 -41.43 5.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -71.27 -13.97 62.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 47.86 47.45 18.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -74.04 -39.36 63.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.0 mt -125.71 -49.49 1.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -139.64 -179.22 5.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.555 ' CD2' ' HB2' ' A' ' 80' ' ' ARG . 45.1 t80 -129.38 -64.58 0.89 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.555 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 27.0 ttp180 -124.77 99.41 6.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 25.6 mtp85 -125.76 121.3 32.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.515 ' C ' ' CD2' ' A' ' 82' ' ' HIS . 0.7 OUTLIER -122.25 150.53 42.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -126.05 150.06 68.24 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.692 0.758 . . . . 0.0 110.906 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 167.61 23.99 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.353 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.83 HG23 HD13 ' A' ' 149' ' ' LEU . 13.8 p -77.65 -37.37 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.171 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -56.2 -57.54 11.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.639 ' O ' HG23 ' A' ' 89' ' ' THR . 78.0 p -39.88 -59.65 1.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.8 mt -52.48 97.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 87' ' ' SER . 77.1 p -113.47 -21.77 10.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -139.42 143.69 37.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 46.0 t -172.77 105.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.1 t -156.61 148.17 22.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.665 HG23 HG21 ' A' ' 142' ' ' VAL . 21.4 p -44.08 137.66 3.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.197 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.483 ' OD2' HG12 ' A' ' 40' ' ' VAL . 4.0 t70 -46.67 140.37 5.91 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.577 0.703 . . . . 0.0 110.838 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.42 ' HD2' ' CG ' ' A' ' 94' ' ' ASP . 54.2 Cg_endo -69.72 -31.68 20.2 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 0.0 112.361 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -62.1 -30.4 70.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 22.4 t0 60.57 28.52 18.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -77.72 155.35 31.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 -106.7 128.36 54.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 67.5 t-105 -91.84 107.63 19.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 30.4 m -69.93 92.14 0.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.145 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.421 ' ND2' ' OG ' ' A' ' 108' ' ' SER . 18.8 m-80 -56.24 160.42 4.96 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.602 0.715 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -5.36 16.05 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.695 2.263 . . . . 0.0 112.29 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -96.45 24.72 5.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.896 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 56.95 53.36 44.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.518 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.8 t -156.45 150.24 24.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.372 . . . . 0.0 111.139 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 37.1 p -93.94 155.3 17.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.159 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.421 ' OG ' ' ND2' ' A' ' 102' ' ' ASN . 11.1 p -152.36 130.34 11.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -61.44 133.5 55.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 54.9 mt -84.54 120.52 35.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -133.45 157.26 46.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -170.23 176.47 43.89 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -139.34 173.59 11.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.535 HG22 ' SG ' ' A' ' 126' ' ' CYS . 16.9 t -127.04 114.37 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.13 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -119.57 140.09 51.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -65.6 146.07 55.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.512 ' HG3' HG23 ' A' ' 125' ' ' VAL . 33.5 mttm -59.37 149.23 70.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.557 0.694 . . . . 0.0 110.919 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -46.81 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.71 2.273 . . . . 0.0 112.367 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -84.98 -35.34 12.8 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.432 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.402 ' HA ' ' HD2' ' A' ' 121' ' ' PRO . 45.3 m -109.82 93.27 14.24 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.686 0.755 . . . . 0.0 110.843 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.532 ' HG2' ' CE3' ' A' ' 122' ' ' TRP . 53.5 Cg_endo -69.78 -1.73 8.98 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.329 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.532 ' CE3' ' HG2' ' A' ' 121' ' ' PRO . 1.8 p90 -99.33 -13.35 19.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -105.57 175.55 5.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -146.06 142.85 28.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.512 HG23 ' HG3' ' A' ' 117' ' ' LYS . 96.7 t -130.66 116.59 35.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.535 ' SG ' HG22 ' A' ' 114' ' ' VAL . 34.0 t -92.06 143.39 26.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -116.06 149.17 39.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.581 ' O ' ' CD1' ' A' ' 129' ' ' PHE . 8.0 tp -107.56 146.79 31.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.581 ' CD1' ' O ' ' A' ' 128' ' ' LEU . 34.4 m-85 -152.67 162.19 41.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.505 ' HB2' HD11 ' A' ' 26' ' ' LEU . . . -134.58 149.45 50.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.079 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.38 114.03 2.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.462 ' CD1' HG23 ' A' ' 58' ' ' VAL . 9.2 tt -89.05 -46.49 8.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.97 141.49 25.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.579 0.704 . . . . 0.0 110.858 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -46.01 1.35 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.688 2.259 . . . . 0.0 112.303 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -50.62 -40.0 51.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -107.55 86.63 2.91 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.579 0.704 . . . . 0.0 110.951 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 146.54 60.59 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.36 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.657 ' HA ' HD12 ' A' ' 141' ' ' ILE . . . -42.8 -48.26 5.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -47.69 -53.32 13.51 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.33 -27.11 33.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.779 0.324 . . . . 0.0 111.076 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.657 HD12 ' HA ' ' A' ' 138' ' ' ALA . 51.4 mt -78.79 -71.84 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.665 HG21 HG23 ' A' ' 93' ' ' THR . 8.4 m -46.69 -46.78 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.43 ' N ' HG23 ' A' ' 142' ' ' VAL . 91.9 m -52.76 -58.44 6.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' PHE . . . . . 0.477 ' CD2' HG11 ' A' ' 63' ' ' VAL . 20.6 t80 -49.36 -36.77 22.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 55.0 mt -62.69 -70.41 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.541 HG22 HD22 ' A' ' 150' ' ' LEU . 57.3 p -51.93 -19.8 1.98 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.19 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.33 -41.45 24.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 82.9 t -95.91 -61.82 2.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.83 HD13 HG23 ' A' ' 85' ' ' VAL . 3.6 mm? -49.79 -68.58 0.16 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.541 HD22 HG22 ' A' ' 146' ' ' THR . 8.4 mp -66.04 -38.69 89.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -52.82 -101.81 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.499 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -164.45 163.85 22.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 0.0 110.909 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.59 131.79 55.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.0 -57.35 3.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 5.9 t -50.49 134.86 23.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -164.15 84.0 0.11 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.544 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 165.96 29.12 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.708 2.272 . . . . 0.0 112.336 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 7.1 t -108.44 107.35 17.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 17.7 t -148.52 157.34 43.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.502 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 3' ' ' SER . 45.8 t -120.68 -61.54 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.88 0.371 . . . . 0.0 110.865 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 2' ' ' SER . 74.8 m -35.6 126.53 0.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.37 101.85 0.2 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.477 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.6 m -153.06 164.61 37.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.377 . . . . 0.0 110.857 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 t -142.42 173.82 11.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.19 175.25 36.38 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 30.9 mtt -96.39 151.97 19.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.332 . . . . 0.0 110.835 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.5 p -162.4 176.9 10.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.8 p -106.49 34.8 3.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.179 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' ALA . . . -38.45 -42.25 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 11' ' ' ALA . . . -35.59 -63.16 0.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -47.21 -54.5 10.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.85 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 14' ' ' LEU . 7.7 mt -47.91 -66.07 0.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.469 HD12 ' H ' ' A' ' 15' ' ' LEU . 8.2 mp -47.98 -57.99 5.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -47.42 -42.17 21.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -62.42 -60.07 4.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 73.79 131.15 0.19 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.444 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.34 119.88 33.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 111.066 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.56 135.77 48.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.4 p -157.02 165.89 34.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.404 ' O ' HD22 ' A' ' 132' ' ' LEU . 4.6 t -86.09 130.29 34.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.9 m -112.68 172.97 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.681 HD11 ' CB ' ' A' ' 56' ' ' PRO . 1.3 tm? -103.26 111.53 23.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.534 ' N ' HD13 ' A' ' 24' ' ' LEU . 55.8 t80 -85.05 94.44 8.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.577 HD12 ' HG ' ' A' ' 128' ' ' LEU . 53.4 mt -60.83 -64.02 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.5 t -173.85 163.41 4.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.088 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.0 p -114.4 122.81 47.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.3 t -117.17 123.87 72.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.125 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -60.05 126.72 28.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 32' ' ' GLU . 75.2 p -125.35 35.99 4.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.169 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 31' ' ' THR . 12.8 pt-20 -34.19 -48.21 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 t -91.5 -42.48 10.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 31' ' ' THR . 2.1 mm? -65.64 143.29 57.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.2 t -162.28 171.86 16.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.409 ' HA3' ' HD2' ' A' ' 37' ' ' PRO . . . 70.22 -147.62 44.56 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.482 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.409 ' HD2' ' HA3' ' A' ' 36' ' ' GLY . 52.9 Cg_endo -69.83 -27.5 26.05 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.659 2.24 . . . . 0.0 112.311 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -66.38 -52.89 42.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -44.94 -48.88 11.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.469 HG22 ' SG ' ' A' ' 126' ' ' CYS . 44.3 t -60.84 -30.03 46.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.122 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.68 -58.11 3.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.5 ttt85 -40.02 -59.82 1.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.84 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.678 ' HB3' HD13 ' A' ' 128' ' ' LEU . . . -37.99 -63.63 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.075 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.1 m -41.87 -46.03 3.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.1 t -60.64 -59.75 4.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -47.04 -45.69 21.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.061 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.02 -33.06 10.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.124 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mt -92.92 -41.97 9.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.6 t -66.39 -17.31 64.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 51' ' ' SER . 1.4 t -90.92 14.89 12.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.547 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 68.9 p -36.46 151.39 0.11 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.69 0.757 . . . . 0.0 110.851 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.6 Cg_endo -69.79 150.53 90.37 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 -1.811 . . . . 0.0 112.319 0.075 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 52' ' ' PRO . 32.2 mtt85 -34.67 126.36 0.52 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.619 0.723 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 145.81 58.44 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.721 2.281 . . . . 0.0 112.322 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 91.5 m -78.13 111.63 19.77 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.625 0.726 . . . . 0.0 111.146 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.681 ' CB ' HD11 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.74 169.79 18.06 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.663 2.242 . . . . 0.0 112.376 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -140.19 146.19 38.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.0 m -87.4 137.2 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.619 HG12 ' HA ' ' A' ' 72' ' ' ASP . 21.4 m -142.39 164.3 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -85.51 139.4 31.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -124.39 132.14 53.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -134.85 126.86 29.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.607 HG11 ' CD2' ' A' ' 144' ' ' PHE . 97.8 t -106.7 100.23 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.063 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.4 p -138.51 156.09 47.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -43.93 -56.78 3.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.11 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 65' ' ' ALA . 39.7 tp60 -37.45 -30.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . 142.76 -127.72 3.24 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.452 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 94.2 mt -144.84 128.25 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.38 . . . . 0.0 111.087 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.404 ' O ' HD23 ' A' ' 70' ' ' LEU . 55.0 m -113.68 140.9 47.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.404 HD23 ' O ' ' A' ' 69' ' ' THR . 17.7 mt -132.28 131.23 41.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.946 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 20.7 m -124.17 126.35 46.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.619 ' HA ' HG12 ' A' ' 59' ' ' VAL . 19.2 t0 -111.86 -58.46 2.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 74.96 25.01 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -110.51 -25.38 10.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.438 ' HD3' ' CD1' ' A' ' 79' ' ' PHE . 16.8 mmm180 45.14 42.03 6.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -113.26 -43.01 3.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 23.4 mt -118.07 -40.42 2.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -161.58 133.44 5.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.438 ' CD1' ' HD3' ' A' ' 75' ' ' ARG . 10.2 t80 -93.95 171.49 8.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -41.73 136.49 1.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 83' ' ' TYR . 43.4 mtt180 -148.76 119.15 7.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -99.39 126.32 45.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 81' ' ' ARG . 10.0 m-85 -118.1 134.44 23.34 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.688 0.756 . . . . 0.0 110.928 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 146.49 60.72 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.724 2.282 . . . . 0.0 112.358 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.736 HG23 HD13 ' A' ' 149' ' ' LEU . 12.3 p -45.92 -27.08 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.143 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 87' ' ' SER . 58.2 m-20 -64.16 -63.08 1.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.439 ' O ' HG23 ' A' ' 89' ' ' THR . 28.3 t -35.88 -59.31 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 29.3 mt -55.31 111.55 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.075 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 87' ' ' SER . 46.0 p -117.9 -47.04 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -119.73 138.01 53.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.8 t -160.73 112.0 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 m -161.35 156.6 24.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.572 HG23 HG21 ' A' ' 142' ' ' VAL . 1.2 p -58.03 142.76 45.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.193 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.432 ' CG ' ' HD2' ' A' ' 95' ' ' PRO . 7.0 t70 -36.0 139.98 0.39 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.606 0.717 . . . . 0.0 110.823 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.461 ' HG2' ' NE2' ' A' ' 96' ' ' GLN . 54.1 Cg_endo -69.83 -37.04 9.55 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.659 2.239 . . . . 0.0 112.341 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.461 ' NE2' ' HG2' ' A' ' 95' ' ' PRO . 26.2 mp0 -80.58 -26.78 37.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.0 t70 65.2 37.1 6.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -65.45 159.2 24.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -101.35 127.79 47.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.562 ' CD1' HD21 ' A' ' 26' ' ' LEU . 33.9 t-105 -91.0 103.1 15.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 31.3 m -72.12 92.01 1.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.114 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -46.7 160.49 0.32 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.606 0.717 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 1.55 4.39 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 0.0 112.319 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -96.58 -39.22 9.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 129.29 26.7 0.87 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.466 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 34.2 p -130.25 151.41 50.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.9 0.381 . . . . 0.0 111.135 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 41.2 p -88.48 157.76 18.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 43.0 m -154.66 153.41 31.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.81 133.01 40.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.872 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 62.7 mt -99.47 122.85 51.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -140.05 164.63 29.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 175.95 162.86 27.66 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.415 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 3.9 p90 -115.36 176.82 4.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.924 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 22.5 t -123.85 103.74 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -109.55 142.15 41.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 33.5 mttm -70.38 153.15 43.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.442 ' CG ' ' HD2' ' A' ' 118' ' ' PRO . 7.6 ttmm -64.13 138.72 97.5 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.564 0.697 . . . . 0.0 110.906 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.442 ' HD2' ' CG ' ' A' ' 117' ' ' LYS . 53.5 Cg_endo -69.74 -2.33 9.97 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.365 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -117.91 -33.28 1.29 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.471 ' HB3' ' CE2' ' A' ' 122' ' ' TRP . 73.9 m -133.27 120.84 16.23 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.642 0.734 . . . . 0.0 110.865 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -19.12 36.8 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.676 2.25 . . . . 0.0 112.376 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.471 ' CE2' ' HB3' ' A' ' 120' ' ' SER . 38.1 p90 -86.87 -16.34 36.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.417 ' HG2' ' CD1' ' A' ' 122' ' ' TRP . 17.4 mt-10 -101.7 116.43 32.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 31' ' ' THR . 5.3 m-80 -98.36 144.63 27.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 89.6 t -133.89 105.06 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.469 ' SG ' HG22 ' A' ' 40' ' ' VAL . 46.7 t -84.35 137.35 33.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -107.74 122.88 47.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.678 HD13 ' HB3' ' A' ' 43' ' ' ALA . 9.2 tp -81.84 146.41 29.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -152.34 172.06 17.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -149.96 159.21 44.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.067 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.627 ' HG3' ' HB2' ' A' ' 138' ' ' ALA . 93.0 mt-10 -60.54 115.11 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.511 HD23 ' C ' ' A' ' 132' ' ' LEU . 7.4 tt -95.17 -45.69 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 10.8 p30 -108.96 138.6 20.4 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.643 0.735 . . . . 0.0 110.879 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -45.68 1.51 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.308 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.402 ' OD1' ' OE1' ' A' ' 136' ' ' GLN . 0.6 OUTLIER -48.4 -47.18 37.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.402 ' OE1' ' OD1' ' A' ' 135' ' ' ASP . 7.4 mp0 -104.46 101.65 28.9 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.575 0.702 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 153.64 68.61 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.668 2.245 . . . . 0.0 112.332 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.627 ' HB2' ' HG3' ' A' ' 131' ' ' GLU . . . -47.15 -50.11 21.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.087 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -47.68 -58.64 6.61 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.523 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -42.65 -35.99 1.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.75 0.309 . . . . 0.0 111.114 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.452 HD12 ' HA ' ' A' ' 138' ' ' ALA . 58.9 mt -69.2 -73.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.137 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.622 ' HA ' HD12 ' A' ' 145' ' ' ILE . 6.4 m -48.34 -51.42 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.479 ' N ' HG23 ' A' ' 142' ' ' VAL . 88.3 m -48.49 -60.71 2.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.186 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' PHE . . . . . 0.607 ' CD2' HG11 ' A' ' 63' ' ' VAL . 14.5 t80 -48.51 -51.6 26.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 142' ' ' VAL . 64.2 mt -46.92 -57.42 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.841 ' HB ' HD12 ' A' ' 150' ' ' LEU . 28.8 p -61.69 -40.49 95.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -55.16 -39.64 69.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 74.8 t -92.58 -63.56 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.082 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.736 HD13 HG23 ' A' ' 85' ' ' VAL . 1.2 mm? -48.81 -70.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.841 HD12 ' HB ' ' A' ' 146' ' ' THR . 64.6 mt -62.82 -72.43 0.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 123.36 73.92 0.27 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.49 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -87.7 178.11 6.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 110.927 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . 0.422 ' HD3' ' N ' ' A' ' 154' ' ' LYS . 0.4 OUTLIER -111.66 175.54 5.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . 0.422 ' N ' ' HD3' ' A' ' 153' ' ' ARG . 6.8 mtpm? -35.38 120.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.95 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 6.9 t -109.17 -44.7 3.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.87 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -158.45 143.16 9.05 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.504 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 161.01 47.6 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.713 2.275 . . . . 0.0 112.353 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 58.4 m -111.69 -61.58 1.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 57.6 p -74.79 -51.44 14.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.831 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.542 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.4 p -171.65 119.56 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.359 . . . . 0.0 110.91 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.6 m -126.24 146.16 50.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.72 131.16 1.38 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.44 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -160.67 126.05 3.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.873 0.368 . . . . 0.0 110.818 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.9 m -137.08 157.02 47.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.2 141.42 4.58 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.459 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.04 150.41 44.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.775 0.321 . . . . 0.0 110.836 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.9 m -141.41 170.61 15.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 11' ' ' ALA . 39.5 p -88.87 76.87 7.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.114 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 10' ' ' THR . . . -37.89 -38.76 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.091 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -39.36 -67.81 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.095 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.67 -47.95 82.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 mp -41.11 -57.41 2.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.9 mt -47.84 -55.58 9.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.4 mtp85 -45.8 -25.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -93.31 -179.08 4.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.78 138.59 5.77 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.513 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.42 119.36 35.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 111.083 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.5 125.38 16.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.2 m -162.74 -178.01 5.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.58 ' HB3' HD21 ' A' ' 132' ' ' LEU . 3.3 m -92.2 152.77 19.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.577 ' C ' HD23 ' A' ' 132' ' ' LEU . 33.7 m -140.45 163.95 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.122 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.615 ' C ' HD13 ' A' ' 24' ' ' LEU . 2.7 tm? -95.22 121.77 37.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.574 ' N ' HD13 ' A' ' 24' ' ' LEU . 64.5 t80 -90.81 111.1 22.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.955 HD12 ' HG ' ' A' ' 128' ' ' LEU . 22.3 mt -80.05 -64.2 1.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.4 t -173.42 168.99 4.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.5 p -127.9 113.68 16.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.512 HG21 ' HA ' ' A' ' 43' ' ' ALA . 39.7 t -102.78 127.24 56.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.118 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -57.35 124.03 17.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.9 HG21 ' HB1' ' A' ' 39' ' ' ALA . 71.9 p -118.98 34.82 5.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -47.8 -40.81 22.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.8 t -89.38 -34.87 16.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.409 ' C ' HG22 ' A' ' 35' ' ' THR . 2.6 mt -80.96 163.86 22.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.409 HG22 ' C ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -175.25 154.21 1.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.111 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.34 -149.01 30.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.533 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.411 ' HD3' ' CE2' ' A' ' 90' ' ' PHE . 54.2 Cg_endo -69.71 -7.29 20.67 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.37 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' A' ' 41' ' ' ALA . 15.7 tp60 -82.05 -65.56 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.9 ' HB1' HG21 ' A' ' 31' ' ' THR . . . -34.37 -41.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.2 t -64.63 -45.57 95.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 38' ' ' GLN . . . -62.99 -21.93 66.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.081 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 -77.53 -57.92 3.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.512 ' HA ' HG21 ' A' ' 29' ' ' VAL . . . -38.86 -60.35 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.9 m -49.89 -50.2 46.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 m -51.63 -35.19 40.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.7 -29.02 24.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.104 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.36 -25.75 66.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.072 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.542 HD11 ' HD3' ' A' ' 98' ' ' ARG . 7.8 mt -93.87 -35.37 12.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.7 m -64.87 -53.07 52.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 30.2 t -43.91 137.34 3.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.521 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 37.1 p -149.27 132.4 8.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.685 0.755 . . . . 0.0 110.896 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 51' ' ' SER . 53.3 Cg_endo -69.74 149.51 88.65 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.674 -1.803 . . . . 0.0 112.323 0.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.9 ptp85 -40.69 145.27 0.54 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.646 0.736 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 146.75 61.09 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.693 2.262 . . . . 0.0 112.311 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.0 m -86.21 110.51 31.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.6 0.714 . . . . 0.0 111.131 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.516 ' CB ' HD11 ' A' ' 24' ' ' LEU . 53.4 Cg_endo -69.78 172.83 11.95 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.667 2.244 . . . . 0.0 112.332 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.32 140.97 25.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.5 t -81.83 126.86 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.9 m -139.41 157.57 27.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -76.98 143.5 39.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -128.54 142.69 50.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -146.77 141.25 26.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.7 t -119.28 113.26 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.0 t -140.65 178.65 7.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.826 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.01 -36.97 75.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.102 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -63.75 -10.39 19.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 120.66 -157.03 15.95 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.516 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.645 HG12 HD11 ' A' ' 88' ' ' ILE . 14.2 mm -92.91 149.44 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 111.139 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 m -133.37 117.26 17.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.48 128.93 54.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 94.1 m -135.73 135.01 39.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -122.17 159.82 26.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -112.89 -15.6 12.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -80.31 -33.26 37.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 59.56 36.26 22.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.9 mmmt -81.73 -63.44 1.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.9 mt -80.77 -48.29 12.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -162.34 178.38 8.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 80' ' ' ARG . 16.9 t80 -113.89 173.0 6.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 79' ' ' PHE . 7.7 ptm180 -34.53 143.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -157.99 140.09 14.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -102.69 138.98 38.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -111.8 125.62 29.99 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.629 0.728 . . . . 0.0 110.96 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.491 ' O ' ' N ' ' A' ' 86' ' ' ASN . 53.7 Cg_endo -69.74 122.49 9.17 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.718 2.279 . . . . 0.0 112.327 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.682 HG23 HD12 ' A' ' 149' ' ' LEU . 7.7 p -36.57 -29.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' A' ' 84' ' ' PRO . 11.2 m120 -63.44 -50.98 67.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.7 p -44.04 -51.62 7.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.645 HD11 HG12 ' A' ' 68' ' ' ILE . 13.5 mt -59.01 123.92 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.116 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.99 ' O ' HD21 ' A' ' 150' ' ' LEU . 37.3 p -124.92 -44.24 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.411 ' CE2' ' HD3' ' A' ' 37' ' ' PRO . 29.5 t80 -137.54 125.57 22.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.5 t -141.0 115.36 9.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.4 t -166.92 148.13 5.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.702 HG23 HG21 ' A' ' 142' ' ' VAL . 1.7 p -47.49 151.85 0.73 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -60.51 138.79 92.61 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.582 0.706 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -27.95 26.12 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -67.7 -29.08 68.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 22.7 t0 59.52 37.55 22.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.542 ' HD3' HD11 ' A' ' 48' ' ' LEU . 9.4 mtp85 -84.55 164.02 18.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -109.12 149.48 29.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.459 ' CD2' HD22 ' A' ' 26' ' ' LEU . 67.4 t-105 -113.68 110.96 21.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.1 m -73.94 90.89 1.97 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.135 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.423 ' HB2' HG22 ' A' ' 106' ' ' THR . 55.2 m-20 -41.8 155.47 0.23 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.616 0.722 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -3.1 11.34 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.715 2.277 . . . . 0.0 112.36 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -95.69 -40.5 9.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 132.14 60.6 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.536 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.423 HG22 ' HB2' ' A' ' 102' ' ' ASN . 7.1 t -166.19 158.13 13.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.898 0.38 . . . . 0.0 111.104 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 72.9 p -101.59 156.32 17.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 45.8 m -154.63 157.41 38.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -80.14 128.39 33.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 89.1 mt -81.58 143.81 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.519 ' CE1' ' HB3' ' A' ' 129' ' ' PHE . 4.3 p90 -160.17 164.24 33.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 179.35 170.54 41.32 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -134.99 158.56 44.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.885 0.374 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t -107.56 107.16 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -118.04 157.35 26.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.059 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 58.9 mttt -64.8 144.13 57.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -61.72 135.99 94.54 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.605 0.717 . . . . 0.0 110.868 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -1.48 8.56 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.716 2.278 . . . . 0.0 112.309 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -121.41 -19.49 3.47 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.432 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.445 ' HA ' ' HD2' ' A' ' 121' ' ' PRO . 4.7 m -144.85 105.09 4.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.704 0.764 . . . . 0.0 110.875 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.445 ' HD2' ' HA ' ' A' ' 120' ' ' SER . 53.5 Cg_endo -69.75 -4.5 14.15 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.731 2.287 . . . . 0.0 112.339 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 5.9 p90 -96.08 9.26 41.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -137.04 170.6 15.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 31' ' ' THR . 5.1 p30 -142.46 132.61 24.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -135.08 127.76 48.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.113 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 31.3 t -83.92 160.05 21.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -130.64 93.77 3.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.955 ' HG ' HD12 ' A' ' 26' ' ' LEU . 8.9 tp -49.78 156.86 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.519 ' HB3' ' CE1' ' A' ' 111' ' ' PHE . 17.7 m-85 -160.14 172.42 17.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.511 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -152.23 144.57 24.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.089 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.98 97.68 1.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.58 HD21 ' HB3' ' A' ' 22' ' ' SER . 0.6 OUTLIER -78.51 -24.28 45.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -105.39 119.53 52.55 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.595 0.712 . . . . 0.0 110.893 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -13.03 34.26 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.711 2.274 . . . . 0.0 112.345 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -68.22 -25.95 65.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -145.76 117.39 5.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.55 0.69 . . . . 0.0 110.953 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 162.12 43.31 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.643 2.229 . . . . 0.0 112.324 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.442 ' HA ' HD12 ' A' ' 141' ' ' ILE . . . -61.23 -45.28 95.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -46.11 -56.2 7.06 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.456 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -48.36 -33.55 9.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.768 0.318 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 138' ' ' ALA . 40.0 mt -74.46 -72.86 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.702 HG21 HG23 ' A' ' 93' ' ' THR . 6.3 m -43.7 -38.99 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 55.3 m -61.74 -48.1 82.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.159 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -62.52 -25.01 67.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 67.5 mt -70.87 -71.92 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.52 HG22 ' O ' ' A' ' 142' ' ' VAL . 0.1 OUTLIER -50.25 -38.36 40.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -55.39 -43.69 75.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 96.4 t -94.59 -63.08 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.682 HD12 HG23 ' A' ' 85' ' ' VAL . 3.9 mm? -51.24 -57.68 8.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.99 HD21 ' O ' ' A' ' 89' ' ' THR . 8.2 mt -85.24 11.62 9.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -90.06 -97.55 1.13 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.484 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -129.65 -67.69 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.772 0.32 . . . . 0.0 110.91 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -49.96 141.74 10.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -120.29 -44.2 2.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 8.7 t -144.17 166.97 23.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -143.66 -98.05 0.26 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.508 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 144.93 55.65 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.723 2.282 . . . . 0.0 112.332 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 51.8 p -62.45 134.43 56.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.2 t -86.43 90.26 8.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 179.998 . . . . . . . . 0 0 . 1 stop_ save_